1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one

C16H16ClNO — CID 94283002

IUPAC1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
SMILESCc1cccc(NCCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO/c1-12-3-2-4-15(11-12)18-10-9-16(19)13-5-7-14(17)8-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyGIVJIUDYMLXTIW-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one

1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one (PubChem CID 94283002) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
PubChem CID94283002
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
SMILESCc1cccc(NCCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO/c1-12-3-2-4-15(11-12)18-10-9-16(19)13-5-7-14(17)8-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyGIVJIUDYMLXTIW-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
3-(1,3-benzodioxol-5-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 4251208
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
6-(3-methylanilino)hexan-3-one
CID 10798292
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one (CID 94283002) is 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one is Cc1cccc(NCCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one?
The InChIKey is GIVJIUDYMLXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-3-2-4-15(11-12)18-10-9-16(19)13-5-7-14(17)8-6-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one?
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one has a molecular weight of 273.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one is sourced from PubChem (CID 94283002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).