4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide

C15H21ClN2O — CID 43748795

IUPAC4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19)
InChIKeyDOQZUNHPWJFYSI-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.03
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide

4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide (PubChem CID 43748795) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
PubChem CID43748795
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
SMILESCC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19)
InChIKeyDOQZUNHPWJFYSI-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791667
4-[1-(3-bromo-4-fluorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791702
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide (CID 43748795) is 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide is CC(NC1CCC(C(N)=O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide?
The InChIKey is DOQZUNHPWJFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(11-2-6-13(16)7-3-11)18-14-8-4-12(5-9-14)15(17)19/h2-3,6-7,10,12,14,18H,4-5,8-9H2,1H3,(H2,17,19).
What are the key properties of 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide?
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).