N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

C24H19ClF3N3O4 — CID 155155708

IUPACN-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1F)C1=CN2C(=C(O)C1O)C(=O)N1CC2CCc2cccc(F)c21
InChIInChI=1S/C24H19ClF3N3O4/c25-17-15(26)7-5-12(18(17)28)8-29-23(34)14-10-30-13-6-4-11-2-1-3-16(27)19(11)31(9-13)24(35)20(30)22(33)21(14)32/h1-3,5,7,10,13,21,32-33H,4,6,8-9H2,(H,29,34)
InChIKeyDHNDLUQKTGOTCQ-UHFFFAOYSA-N
MW505.88 g/mol
LogP3.07
Rot. Bonds3

About N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (PubChem CID 155155708) has the molecular formula C24H19ClF3N3O4 and a molecular weight of 505.88 g/mol. Its IUPAC name is N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
PubChem CID155155708
Molecular FormulaC24H19ClF3N3O4
Molecular Weight505.88 g/mol
Exact Mass505.10
IUPAC NameN-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1F)C1=CN2C(=C(O)C1O)C(=O)N1CC2CCc2cccc(F)c21
InChIInChI=1S/C24H19ClF3N3O4/c25-17-15(26)7-5-12(18(17)28)8-29-23(34)14-10-30-13-6-4-11-2-1-3-16(27)19(11)31(9-13)24(35)20(30)22(33)21(14)32/h1-3,5,7,10,13,21,32-33H,4,6,8-9H2,(H,29,34)
InChIKeyDHNDLUQKTGOTCQ-UHFFFAOYSA-N
XLogP3.07
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (CID 155155708) is N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.
What is the SMILES notation for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The canonical SMILES for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is O=C(NCc1ccc(F)c(Cl)c1F)C1=CN2C(=C(O)C1O)C(=O)N1CC2CCc2cccc(F)c21.
What is the InChIKey of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
The InChIKey is DHNDLUQKTGOTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O4/c25-17-15(26)7-5-12(18(17)28)8-29-23(34)14-10-30-13-6-4-11-2-1-3-16(27)19(11)31(9-13)24(35)20(30)22(33)21(14)32/h1-3,5,7,10,13,21,32-33H,4,6,8-9H2,(H,29,34).
What are the key properties of N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?
N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,4-difluorophenyl)methyl]-3-fluoro-14,15-dihydroxy-17-oxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is sourced from PubChem (CID 155155708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).