N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide

C20H17ClN2O3 — CID 30132566

IUPACN-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2
InChIInChI=1S/C20H17ClN2O3/c1-26-17-8-7-13(21)10-16(17)22-20(25)15-11-23-9-3-5-12-4-2-6-14(18(12)23)19(15)24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25)
InChIKeyPQJYSNYJNLVKJR-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.86
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 30132566) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
PubChem CID30132566
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2
InChIInChI=1S/C20H17ClN2O3/c1-26-17-8-7-13(21)10-16(17)22-20(25)15-11-23-9-3-5-12-4-2-6-14(18(12)23)19(15)24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25)
InChIKeyPQJYSNYJNLVKJR-UHFFFAOYSA-N
XLogP3.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132511
4-oxo-N-(2,3,4-trifluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132752
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878775
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699743
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide (CID 30132566) is N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is PQJYSNYJNLVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-26-17-8-7-13(21)10-16(17)22-20(25)15-11-23-9-3-5-12-4-2-6-14(18(12)23)19(15)24/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 30132566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).