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

C14H12ClNO — CID 21314189

IUPAC[2-chloro-5-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H12ClNO/c1-16-11-7-8-13(15)12(9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyWEIKFDKCQMFSOY-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.61
Rot. Bonds3

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

[2-chloro-5-(methylamino)phenyl]-phenylmethanone (PubChem CID 21314189) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is [2-chloro-5-(methylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-chloro-5-(methylamino)phenyl]-phenylmethanone
PubChem CID21314189
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name[2-chloro-5-(methylamino)phenyl]-phenylmethanone
SMILESCNc1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H12ClNO/c1-16-11-7-8-13(15)12(9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyWEIKFDKCQMFSOY-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

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Related Compounds

[2,5-bis(methylamino)phenyl]-phenylmethanone
CID 57239314
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
2-(3-benzoyl-4-chlorophenyl)propanoic acid
CID 135074554
N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4295908
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
diphenylmethanone;phenyl-[2,4,6-tris(methylamino)phenyl]methanone
CID 159479843
(2,5-dichloro-4-pyridinyl)-phenylmethanone
CID 6421230
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(methylamino)phenyl]-phenylmethanone?
The IUPAC name of [2-chloro-5-(methylamino)phenyl]-phenylmethanone (CID 21314189) is [2-chloro-5-(methylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2-chloro-5-(methylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2-chloro-5-(methylamino)phenyl]-phenylmethanone is CNc1ccc(Cl)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2-chloro-5-(methylamino)phenyl]-phenylmethanone?
The InChIKey is WEIKFDKCQMFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-16-11-7-8-13(15)12(9-11)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of [2-chloro-5-(methylamino)phenyl]-phenylmethanone?
[2-chloro-5-(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 [2-chloro-5-(methylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 21314189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).