2-(3-chloro-4-methylanilino)-1-phenylethanone

C15H14ClNO — CID 788410

IUPAC2-(3-chloro-4-methylanilino)-1-phenylethanone
SMILESCc1ccc(NCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKeyBYLKIFQQXNFTAK-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.94
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-1-phenylethanone

2-(3-chloro-4-methylanilino)-1-phenylethanone (PubChem CID 788410) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-phenylethanone
PubChem CID788410
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-(3-chloro-4-methylanilino)-1-phenylethanone
SMILESCc1ccc(NCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChIKeyBYLKIFQQXNFTAK-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.94
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-phenylethanone?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-phenylethanone (CID 788410) is 2-(3-chloro-4-methylanilino)-1-phenylethanone.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-phenylethanone?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-phenylethanone is Cc1ccc(NCC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-phenylethanone?
The InChIKey is BYLKIFQQXNFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-phenylethanone?
2-(3-chloro-4-methylanilino)-1-phenylethanone has a molecular weight of 259.74 g/mol, XLogP of 3.94, 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-phenylethanone is sourced from PubChem (CID 788410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).