(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone

C16H16ClNO — CID 103693754

IUPAC(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-11-4-5-13(10-15(11)17)16(19)12-6-8-14(9-7-12)18(2)3/h4-10H,1-3H3
InChIKeyAQZJUPGMJNSDBB-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.95
Rot. Bonds3

About (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone

(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 103693754) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
PubChem CID103693754
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-11-4-5-13(10-15(11)17)16(19)12-6-8-14(9-7-12)18(2)3/h4-10H,1-3H3
InChIKeyAQZJUPGMJNSDBB-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
3-chloro-N,N,4-trimethylaniline
CID 12637287
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
4-(3-chloro-N,4-dimethylanilino)benzoic acid
CID 150399122
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone (CID 103693754) is (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone is Cc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is AQZJUPGMJNSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-4-5-13(10-15(11)17)16(19)12-6-8-14(9-7-12)18(2)3/h4-10H,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone?
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 273.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 103693754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).