N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide

C25H28ClF2N3O6 — CID 142367185

IUPACN-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide
SMILESCOCCN1CC(C)C2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n3C2)C1=O
InChIInChI=1S/C25H28ClF2N3O6/c1-12-10-30(6-7-36-2)25(35)21-23(33)22(32)17(20-16(37-3)8-14(12)11-31(20)21)24(34)29-9-13-4-5-15(27)18(26)19(13)28/h4-5,12,14,16,33H,6-11H2,1-3H3,(H,29,34)
InChIKeyDHFPIEOBKFHJLD-UHFFFAOYSA-N
MW539.96 g/mol
LogP2.86
Rot. Bonds7

About N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide

N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide (PubChem CID 142367185) has the molecular formula C25H28ClF2N3O6 and a molecular weight of 539.96 g/mol. Its IUPAC name is N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide
PubChem CID142367185
Molecular FormulaC25H28ClF2N3O6
Molecular Weight539.96 g/mol
Exact Mass539.16
IUPAC NameN-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide
SMILESCOCCN1CC(C)C2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n3C2)C1=O
InChIInChI=1S/C25H28ClF2N3O6/c1-12-10-30(6-7-36-2)25(35)21-23(33)22(32)17(20-16(37-3)8-14(12)11-31(20)21)24(34)29-9-13-4-5-15(27)18(26)19(13)28/h4-5,12,14,16,33H,6-11H2,1-3H3,(H,29,34)
InChIKeyDHFPIEOBKFHJLD-UHFFFAOYSA-N
XLogP2.86
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.96
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-difluorophenyl)methyl]-10-hydroxy-7-(2-methoxyethyl)-8,11-dioxo-3-oxa-7,13-diazatricyclo[7.3.1.05,13]trideca-1(12),9-diene-12-carboxamide
CID 90468349
bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)
CID 159142361
(9R,11R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-4-hydroxy-9-(methoxymethyl)-11-methyl-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 122597309
(1S,11R,12R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90311709
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-7-methanethioyl-3-methoxy-1-methyl-5-oxo-2,3-dihydropyrazolo[1,5-a]pyridine-4-carboxamide
CID 137299854
(2R)-N-[(2,4-difluorophenyl)methyl]-2,6-diethyl-9-hydroxy-7,10-dioxo-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 157472645
(1S,10R,13R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-12-oxa-2,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-3,6-diene-4-carboxamide
CID 129065896
N-[(3-chloro-2,4-difluorophenyl)methyl]-3-ethyl-9-hydroxy-4-[2-(1-methylcyclopropyl)ethyl]-1,8-dioxo-2-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 138527567
(4S)-N-[(2,3-difluorophenyl)methyl]-6-ethyl-9-hydroxy-7,10-dioxo-2-pyrrolidin-1-yl-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 130195553
(2S)-N-[(2,4-difluorophenyl)methyl]-6-ethyl-9-hydroxy-2-(methylamino)-7,10-dioxo-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 134414711
(1R)-N-[(3-chloro-2,4-difluorophenyl)methyl]-13,13-difluoro-6-hydroxy-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145776
(4S)-N-[(3-chloro-2-fluorophenyl)methyl]-2-(3-chloropropylamino)-6-ethyl-9-hydroxy-7,10-dioxo-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 146205786

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide?
The IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide (CID 142367185) is N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide?
The canonical SMILES for N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide is COCCN1CC(C)C2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n3C2)C1=O.
What is the InChIKey of N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide?
The InChIKey is DHFPIEOBKFHJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N3O6/c1-12-10-30(6-7-36-2)25(35)21-23(33)22(32)17(20-16(37-3)8-14(12)11-31(20)21)24(34)29-9-13-4-5-15(27)18(26)19(13)28/h4-5,12,14,16,33H,6-11H2,1-3H3,(H,29,34).
What are the key properties of N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide?
N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide has a molecular weight of 539.96 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,4-difluorophenyl)methyl]-7-hydroxy-3-methoxy-10-(2-methoxyethyl)-12-methyl-6,9-dioxo-10,14-diazatricyclo[6.4.2.04,14]tetradeca-4,7-diene-5-carboxamide is sourced from PubChem (CID 142367185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).