2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide

C16H23ClN2O2 — CID 43083885

IUPAC2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
SMILESCOc1ccc(Cl)cc1NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-11(16(20)19-13-6-4-3-5-7-13)18-14-10-12(17)8-9-15(14)21-2/h8-11,13,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyRRCCMMQCOQQXKQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.60
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide

2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide (PubChem CID 43083885) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
PubChem CID43083885
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
SMILESCOc1ccc(Cl)cc1NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-11(16(20)19-13-6-4-3-5-7-13)18-14-10-12(17)8-9-15(14)21-2/h8-11,13,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyRRCCMMQCOQQXKQ-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
CID 7509630
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 18078225
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide (CID 43083885) is 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide is COc1ccc(Cl)cc1NC(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide?
The InChIKey is RRCCMMQCOQQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(16(20)19-13-6-4-3-5-7-13)18-14-10-12(17)8-9-15(14)21-2/h8-11,13,18H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide?
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide has a molecular weight of 310.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 43083885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).