5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

C18H15ClN2O3 — CID 20916424

IUPAC5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(Cl)ccc3c2n1CCO3
InChIInChI=1S/C18H15ClN2O3/c1-23-15-5-3-2-4-13(15)20-18(22)14-10-11-12(19)6-7-16-17(11)21(14)8-9-24-16/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIQDNCAKWBFNFBJ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide

5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (PubChem CID 20916424) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
PubChem CID20916424
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(Cl)ccc3c2n1CCO3
InChIInChI=1S/C18H15ClN2O3/c1-23-15-5-3-2-4-13(15)20-18(22)14-10-11-12(19)6-7-16-17(11)21(14)8-9-24-16/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyIQDNCAKWBFNFBJ-UHFFFAOYSA-N
XLogP3.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 20916429
5-chloro-N-[(2,5-dimethoxyphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 20916454
5-chloro-N-[2-(2,5-dimethoxyphenyl)ethyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 20916435
5-chloro-N,N-dimethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 53015541
(10S)-5-chloro-10-ethyl-N-[(2-methoxyphenyl)methyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 95063383
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 55667321
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide (CID 20916424) is 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is COc1ccccc1NC(=O)c1cc2c(Cl)ccc3c2n1CCO3.
What is the InChIKey of 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
The InChIKey is IQDNCAKWBFNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-15-5-3-2-4-13(15)20-18(22)14-10-11-12(19)6-7-16-17(11)21(14)8-9-24-16/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide?
5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyphenyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide is sourced from PubChem (CID 20916424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).