N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide

C29H28F2N4O4 — CID 146182435

IUPACN-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide
SMILESCN1CCN2C(=O)c3c(OCc4ccccc4)c(=O)c(C(=O)NCc4ccc(F)cc4F)c4n3C(CC4)C12C
InChIInChI=1S/C29H28F2N4O4/c1-29-22-11-10-21-23(27(37)32-15-18-8-9-19(30)14-20(18)31)25(36)26(39-16-17-6-4-3-5-7-17)24(35(21)22)28(38)34(29)13-12-33(29)2/h3-9,14,22H,10-13,15-16H2,1-2H3,(H,32,37)
InChIKeyRWIRSIWZVSSGQL-UHFFFAOYSA-N
MW534.56 g/mol
LogP3.24
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide

N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide (PubChem CID 146182435) has the molecular formula C29H28F2N4O4 and a molecular weight of 534.56 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide
PubChem CID146182435
Molecular FormulaC29H28F2N4O4
Molecular Weight534.56 g/mol
Exact Mass534.21
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide
SMILESCN1CCN2C(=O)c3c(OCc4ccccc4)c(=O)c(C(=O)NCc4ccc(F)cc4F)c4n3C(CC4)C12C
InChIInChI=1S/C29H28F2N4O4/c1-29-22-11-10-21-23(27(37)32-15-18-8-9-19(30)14-20(18)31)25(36)26(39-16-17-6-4-3-5-7-17)24(35(21)22)28(38)34(29)13-12-33(29)2/h3-9,14,22H,10-13,15-16H2,1-2H3,(H,32,37)
InChIKeyRWIRSIWZVSSGQL-UHFFFAOYSA-N
XLogP3.24
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-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]-2-methyl-7,10-dioxo-9-phenylmethoxy-3-oxa-6,15-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide
CID 153440020
N-[(2,4-difluorophenyl)methyl]-2-methyl-8,11-dioxo-10-phenylmethoxy-3-oxa-7,16-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-9,12-diene-12-carboxamide
CID 153440018
N-[(2,4-difluorophenyl)methyl]-2,9-dimethyl-7,10-dioxo-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide
CID 155306572
N-[(2,4-difluorophenyl)methyl]-3-ethyl-4,7-dioxo-6-phenylmethoxy-1,3,13-triazatricyclo[7.3.1.05,13]trideca-5,8-diene-8-carboxamide
CID 142367232
N'-[2-(2,4-difluorophenyl)acetyl]-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carbohydrazide
CID 134575671
N-[(2,4-difluorophenyl)methyl]-3-methyl-2,7,10-trioxo-8-phenylmethoxy-11-propan-2-yl-1,3,11,13-tetrazatricyclo[7.3.1.05,13]trideca-5,8-diene-6-carboxamide
CID 153312164
(4S)-N-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 155155441
(16S)-N-[(2,4-difluorophenyl)methyl]-2,5-dioxo-4-phenylmethoxy-1,8,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,6-diene-6-carboxamide
CID 126507048
N-[(2,4-difluorophenyl)methyl]-2,5-dioxo-4-phenylmethoxy-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-diene-6-carboxamide;phosphane
CID 143931373
(4Z)-N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1,10-dioxo-11-phenylmethoxy-3,6-dihydropyrido[1,2-a][1,4]diazocine-9-carboxamide
CID 163235277
N-[(2,4-difluorophenyl)methyl]-10-(fluoromethyl)-13-methyl-5,8-dioxo-6-phenylmethoxy-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
CID 175768900
(5S)-N-[(2,4-difluorophenyl)methyl]-5-methyl-4-(2-methylpropyl)-8,11-dioxo-10-phenylmethoxy-3-sulfanyl-1,4,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 130426326

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide (CID 146182435) is N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide is CN1CCN2C(=O)c3c(OCc4ccccc4)c(=O)c(C(=O)NCc4ccc(F)cc4F)c4n3C(CC4)C12C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide?
The InChIKey is RWIRSIWZVSSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O4/c1-29-22-11-10-21-23(27(37)32-15-18-8-9-19(30)14-20(18)31)25(36)26(39-16-17-6-4-3-5-7-17)24(35(21)22)28(38)34(29)13-12-33(29)2/h3-9,14,22H,10-13,15-16H2,1-2H3,(H,32,37).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-7,10-dioxo-9-phenylmethoxy-3,6,15-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,11-diene-11-carboxamide is sourced from PubChem (CID 146182435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).