[5-chloro-2-(methylamino)phenyl]-phenylmethanone

C14H12ClNO — CID 13925

IUPAC[5-chloro-2-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyWPNMLCMTDCANOZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.61
Rot. Bonds3

About [5-chloro-2-(methylamino)phenyl]-phenylmethanone

[5-chloro-2-(methylamino)phenyl]-phenylmethanone (PubChem CID 13925) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)phenyl]-phenylmethanone
PubChem CID13925
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name[5-chloro-2-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyWPNMLCMTDCANOZ-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)phenyl]-phenylmethanone?
The IUPAC name of [5-chloro-2-(methylamino)phenyl]-phenylmethanone (CID 13925) is [5-chloro-2-(methylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [5-chloro-2-(methylamino)phenyl]-phenylmethanone?
The canonical SMILES for [5-chloro-2-(methylamino)phenyl]-phenylmethanone is CNc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-chloro-2-(methylamino)phenyl]-phenylmethanone?
The InChIKey is WPNMLCMTDCANOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of [5-chloro-2-(methylamino)phenyl]-phenylmethanone?
[5-chloro-2-(methylamino)phenyl]-phenylmethanone has a molecular weight of 245.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 13925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).