3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide

C15H20ClN3O2 — CID 119747250

IUPAC3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20)
InChIKeyTXTRHWQQOVIYFA-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 119747250) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID119747250
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20)
InChIKeyTXTRHWQQOVIYFA-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683795
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
cis-(1R,3S)-3-amino-N-[3-(4-chlorophenyl)sulfanylpropyl]cyclohexane-1-carboxamide
CID 77090309
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 119747250) is 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is TXTRHWQQOVIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-11-4-6-13(7-5-11)19-14(20)9-18-15(21)10-2-1-3-12(17)8-10/h4-7,10,12H,1-3,8-9,17H2,(H,18,21)(H,19,20).
What are the key properties of 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119747250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).