4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide

C15H21ClN2O — CID 54913905

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19)
InChIKeyKUIQRSOBEJFMNI-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.03
Rot. Bonds3

About 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 54913905) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID54913905
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19)
InChIKeyKUIQRSOBEJFMNI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide (CID 54913905) is 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(N)CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KUIQRSOBEJFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54913905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).