1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone

C16H16ClNO — CID 82535422

IUPAC1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H16ClNO/c1-12(19)14-8-15(17)10-16(9-14)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyZMLPWIOJKXHYPS-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone

1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone (PubChem CID 82535422) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone
PubChem CID82535422
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H16ClNO/c1-12(19)14-8-15(17)10-16(9-14)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyZMLPWIOJKXHYPS-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[benzyl(methyl)amino]-4-chlorophenyl]ethanone
CID 82535424
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
N-[[3-[(4-chloro-N-methylanilino)methyl]phenyl]methyl]acetamide
CID 143248637

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone?
The IUPAC name of 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone (CID 82535422) is 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone.
What is the SMILES notation for 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone?
The canonical SMILES for 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone is CC(=O)c1cc(Cl)cc(N(C)Cc2ccccc2)c1.
What is the InChIKey of 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone?
The InChIKey is ZMLPWIOJKXHYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(19)14-8-15(17)10-16(9-14)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone?
1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone has a molecular weight of 273.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(methyl)amino]-5-chlorophenyl]ethanone is sourced from PubChem (CID 82535422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).