2-(3-chloroanilino)-2-cyclohexylacetamide

C14H19ClN2O — CID 54892064

IUPAC2-(3-chloroanilino)-2-cyclohexylacetamide
SMILESNC(=O)C(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c15-11-7-4-8-12(9-11)17-13(14(16)18)10-5-2-1-3-6-10/h4,7-10,13,17H,1-3,5-6H2,(H2,16,18)
InChIKeyIJNZTIHSLIZMKH-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-chloroanilino)-2-cyclohexylacetamide

2-(3-chloroanilino)-2-cyclohexylacetamide (PubChem CID 54892064) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-cyclohexylacetamide
PubChem CID54892064
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(3-chloroanilino)-2-cyclohexylacetamide
SMILESNC(=O)C(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O/c15-11-7-4-8-12(9-11)17-13(14(16)18)10-5-2-1-3-6-10/h4,7-10,13,17H,1-3,5-6H2,(H2,16,18)
InChIKeyIJNZTIHSLIZMKH-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
2-cyclohexyl-2-(3-methylanilino)acetamide
CID 54892215
2-anilino-2-cyclohexylacetamide
CID 54889288
2-(3-bromoanilino)-2-cyclopentylacetamide
CID 62069844
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
CID 54892109
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
CID 61124429
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-cyclohexylacetamide?
The IUPAC name of 2-(3-chloroanilino)-2-cyclohexylacetamide (CID 54892064) is 2-(3-chloroanilino)-2-cyclohexylacetamide.
What is the SMILES notation for 2-(3-chloroanilino)-2-cyclohexylacetamide?
The canonical SMILES for 2-(3-chloroanilino)-2-cyclohexylacetamide is NC(=O)C(Nc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-(3-chloroanilino)-2-cyclohexylacetamide?
The InChIKey is IJNZTIHSLIZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-11-7-4-8-12(9-11)17-13(14(16)18)10-5-2-1-3-6-10/h4,7-10,13,17H,1-3,5-6H2,(H2,16,18).
What are the key properties of 2-(3-chloroanilino)-2-cyclohexylacetamide?
2-(3-chloroanilino)-2-cyclohexylacetamide has a molecular weight of 266.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-cyclohexylacetamide is sourced from PubChem (CID 54892064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).