2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone

C16H16ClNO — CID 788411

IUPAC2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO/c1-11-3-6-13(7-4-11)16(19)10-18-14-8-5-12(2)15(17)9-14/h3-9,18H,10H2,1-2H3
InChIKeyKPFYNDNSLSKHDA-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone

2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone (PubChem CID 788411) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone
PubChem CID788411
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO/c1-11-3-6-13(7-4-11)16(19)10-18-14-8-5-12(2)15(17)9-14/h3-9,18H,10H2,1-2H3
InChIKeyKPFYNDNSLSKHDA-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone (CID 788411) is 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone?
The InChIKey is KPFYNDNSLSKHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-3-6-13(7-4-11)16(19)10-18-14-8-5-12(2)15(17)9-14/h3-9,18H,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone?
2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone has a molecular weight of 273.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 788411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).