2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide

C15H21ClN2O2 — CID 107266016

IUPAC2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-20-14-9-12(7-8-13(14)16)17-10-15(19)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyNDRIMWWYBRTHCY-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide

2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide (PubChem CID 107266016) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
PubChem CID107266016
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-20-14-9-12(7-8-13(14)16)17-10-15(19)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyNDRIMWWYBRTHCY-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide (CID 107266016) is 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide is COc1cc(NCC(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide?
The InChIKey is NDRIMWWYBRTHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-14-9-12(7-8-13(14)16)17-10-15(19)18-11-5-3-2-4-6-11/h7-9,11,17H,2-6,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide?
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide has a molecular weight of 296.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 107266016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).