N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

C19H17ClN2O2 — CID 110384060

IUPACN-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C19H17ClN2O2/c1-11-15(20)3-2-4-16(11)21-19(24)14-9-12-5-6-17(23)22-8-7-13(10-14)18(12)22/h2-4,9-10H,5-8H2,1H3,(H,21,24)
InChIKeyKRSHVTSWXKVPBB-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.74
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide

N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (PubChem CID 110384060) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
PubChem CID110384060
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C19H17ClN2O2/c1-11-15(20)3-2-4-16(11)21-19(24)14-9-12-5-6-17(23)22-8-7-13(10-14)18(12)22/h2-4,9-10H,5-8H2,1H3,(H,21,24)
InChIKeyKRSHVTSWXKVPBB-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
N-(2,3-dimethylphenyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 18577975
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
4-bromo-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526321
N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108144
N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236178

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide (CID 110384060) is N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
The InChIKey is KRSHVTSWXKVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-15(20)3-2-4-16(11)21-19(24)14-9-12-5-6-17(23)22-8-7-13(10-14)18(12)22/h2-4,9-10H,5-8H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide?
N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide is sourced from PubChem (CID 110384060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).