1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone

C16H16ClNO — CID 75397038

IUPAC1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO/c1-12(19)14-6-4-7-15(11-14)18-10-9-13-5-2-3-8-16(13)17/h2-8,11,18H,9-10H2,1H3
InChIKeyKPZNCUJLCFRSLA-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.20
Rot. Bonds5

About 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone

1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone (PubChem CID 75397038) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
PubChem CID75397038
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO/c1-12(19)14-6-4-7-15(11-14)18-10-9-13-5-2-3-8-16(13)17/h2-8,11,18H,9-10H2,1H3
InChIKeyKPZNCUJLCFRSLA-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 109007008
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308262
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
CID 60565344
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
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N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone (CID 75397038) is 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone is CC(=O)c1cccc(NCCc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone?
The InChIKey is KPZNCUJLCFRSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(19)14-6-4-7-15(11-14)18-10-9-13-5-2-3-8-16(13)17/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone?
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone has a molecular weight of 273.76 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 75397038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).