4-(5-chloro-2-methylanilino)cyclohexan-1-one

C13H16ClNO — CID 117027853

IUPAC4-(5-chloro-2-methylanilino)cyclohexan-1-one
SMILESCc1ccc(Cl)cc1NC1CCC(=O)CC1
InChIInChI=1S/C13H16ClNO/c1-9-2-3-10(14)8-13(9)15-11-4-6-12(16)7-5-11/h2-3,8,11,15H,4-7H2,1H3
InChIKeyYELKWPZKLCTBFX-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.57
Rot. Bonds2

About 4-(5-chloro-2-methylanilino)cyclohexan-1-one

4-(5-chloro-2-methylanilino)cyclohexan-1-one (PubChem CID 117027853) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(5-chloro-2-methylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-chloro-2-methylanilino)cyclohexan-1-one
PubChem CID117027853
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-(5-chloro-2-methylanilino)cyclohexan-1-one
SMILESCc1ccc(Cl)cc1NC1CCC(=O)CC1
InChIInChI=1S/C13H16ClNO/c1-9-2-3-10(14)8-13(9)15-11-4-6-12(16)7-5-11/h2-3,8,11,15H,4-7H2,1H3
InChIKeyYELKWPZKLCTBFX-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-N-(3-cyclopropylcyclohexyl)-2-methylaniline
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4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
3-(5-chloro-2-methylphenoxy)cyclopentan-1-one
CID 79642993
2-N-(5-chloro-2-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
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N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylanilino)cyclohexan-1-one?
The IUPAC name of 4-(5-chloro-2-methylanilino)cyclohexan-1-one (CID 117027853) is 4-(5-chloro-2-methylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(5-chloro-2-methylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(5-chloro-2-methylanilino)cyclohexan-1-one is Cc1ccc(Cl)cc1NC1CCC(=O)CC1.
What is the InChIKey of 4-(5-chloro-2-methylanilino)cyclohexan-1-one?
The InChIKey is YELKWPZKLCTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-2-3-10(14)8-13(9)15-11-4-6-12(16)7-5-11/h2-3,8,11,15H,4-7H2,1H3.
What are the key properties of 4-(5-chloro-2-methylanilino)cyclohexan-1-one?
4-(5-chloro-2-methylanilino)cyclohexan-1-one has a molecular weight of 237.73 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylanilino)cyclohexan-1-one is sourced from PubChem (CID 117027853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).