2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide

C15H21ClN2O2 — CID 64823768

IUPAC2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCCC2N)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-10(9-12(14)16)18-15(19)11-5-3-4-6-13(11)17/h7-9,11,13H,2-6,17H2,1H3,(H,18,19)
InChIKeyLYBQBYPXOVMBGM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.19
Rot. Bonds4

About 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide

2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 64823768) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID64823768
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCCC2N)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-10(9-12(14)16)18-15(19)11-5-3-4-6-13(11)17/h7-9,11,13H,2-6,17H2,1H3,(H,18,19)
InChIKeyLYBQBYPXOVMBGM-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 64823769
2-amino-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119688371
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
CID 107679949
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
N-(3-chloro-4-ethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119285013
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide (CID 64823768) is 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2CCCCC2N)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is LYBQBYPXOVMBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-10(9-12(14)16)18-15(19)11-5-3-4-6-13(11)17/h7-9,11,13H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide?
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64823768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).