1-(2-chloroanilino)cyclooctane-1-carboxamide

C15H21ClN2O — CID 54892443

IUPAC1-(2-chloroanilino)cyclooctane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Cl)CCCCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-8-4-5-9-13(12)18-15(14(17)19)10-6-2-1-3-7-11-15/h4-5,8-9,18H,1-3,6-7,10-11H2,(H2,17,19)
InChIKeyAOGWIVTYPIYAJB-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-chloroanilino)cyclooctane-1-carboxamide

1-(2-chloroanilino)cyclooctane-1-carboxamide (PubChem CID 54892443) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(2-chloroanilino)cyclooctane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloroanilino)cyclooctane-1-carboxamide
PubChem CID54892443
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(2-chloroanilino)cyclooctane-1-carboxamide
SMILESNC(=O)C1(Nc2ccccc2Cl)CCCCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-8-4-5-9-13(12)18-15(14(17)19)10-6-2-1-3-7-11-15/h4-5,8-9,18H,1-3,6-7,10-11H2,(H2,17,19)
InChIKeyAOGWIVTYPIYAJB-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
ethyl 1-(2-chloroanilino)cyclobutane-1-carboxylate
CID 55067667
1-(2-phenylanilino)cyclopropane-1-carboxamide
CID 91156630
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
CID 103439478
1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
CID 65045384
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 61291221
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)cyclooctane-1-carboxamide?
The IUPAC name of 1-(2-chloroanilino)cyclooctane-1-carboxamide (CID 54892443) is 1-(2-chloroanilino)cyclooctane-1-carboxamide.
What is the SMILES notation for 1-(2-chloroanilino)cyclooctane-1-carboxamide?
The canonical SMILES for 1-(2-chloroanilino)cyclooctane-1-carboxamide is NC(=O)C1(Nc2ccccc2Cl)CCCCCCC1.
What is the InChIKey of 1-(2-chloroanilino)cyclooctane-1-carboxamide?
The InChIKey is AOGWIVTYPIYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-12-8-4-5-9-13(12)18-15(14(17)19)10-6-2-1-3-7-11-15/h4-5,8-9,18H,1-3,6-7,10-11H2,(H2,17,19).
What are the key properties of 1-(2-chloroanilino)cyclooctane-1-carboxamide?
1-(2-chloroanilino)cyclooctane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)cyclooctane-1-carboxamide is sourced from PubChem (CID 54892443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).