4-(3-chloro-N-methylanilino)cyclohexan-1-one

C13H16ClNO — CID 117029680

IUPAC4-(3-chloro-N-methylanilino)cyclohexan-1-one
SMILESCN(c1cccc(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C13H16ClNO/c1-15(11-5-7-13(16)8-6-11)12-4-2-3-10(14)9-12/h2-4,9,11H,5-8H2,1H3
InChIKeyYWDDELOMSBTJQV-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.29
Rot. Bonds2

About 4-(3-chloro-N-methylanilino)cyclohexan-1-one

4-(3-chloro-N-methylanilino)cyclohexan-1-one (PubChem CID 117029680) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(3-chloro-N-methylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-chloro-N-methylanilino)cyclohexan-1-one
PubChem CID117029680
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name4-(3-chloro-N-methylanilino)cyclohexan-1-one
SMILESCN(c1cccc(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C13H16ClNO/c1-15(11-5-7-13(16)8-6-11)12-4-2-3-10(14)9-12/h2-4,9,11H,5-8H2,1H3
InChIKeyYWDDELOMSBTJQV-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114762165
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CID 117029676
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CID 79120446
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2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
CID 79120526
1-chloro-3-[methyl(sulfinato)amino]benzene
CID 18920379
3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N-methylanilino)cyclohexan-1-one?
The IUPAC name of 4-(3-chloro-N-methylanilino)cyclohexan-1-one (CID 117029680) is 4-(3-chloro-N-methylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(3-chloro-N-methylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(3-chloro-N-methylanilino)cyclohexan-1-one is CN(c1cccc(Cl)c1)C1CCC(=O)CC1.
What is the InChIKey of 4-(3-chloro-N-methylanilino)cyclohexan-1-one?
The InChIKey is YWDDELOMSBTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-15(11-5-7-13(16)8-6-11)12-4-2-3-10(14)9-12/h2-4,9,11H,5-8H2,1H3.
What are the key properties of 4-(3-chloro-N-methylanilino)cyclohexan-1-one?
4-(3-chloro-N-methylanilino)cyclohexan-1-one has a molecular weight of 237.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N-methylanilino)cyclohexan-1-one is sourced from PubChem (CID 117029680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).