1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone

C17H18ClNO — CID 20716181

IUPAC1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-12(14-6-4-3-5-7-14)11-19-15-8-9-16(13(2)20)17(18)10-15/h3-10,12,19H,11H2,1-2H3
InChIKeyBYYFQXJCEZVRCH-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.76
Rot. Bonds5

About 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone

1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone (PubChem CID 20716181) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
PubChem CID20716181
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-12(14-6-4-3-5-7-14)11-19-15-8-9-16(13(2)20)17(18)10-15/h3-10,12,19H,11H2,1-2H3
InChIKeyBYYFQXJCEZVRCH-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylpropylamino)benzoic acid
CID 43139349
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
5-(2-acetamidopropylamino)-2-chlorobenzoic acid
CID 166433990
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone (CID 20716181) is 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone is CC(=O)c1ccc(NCC(C)c2ccccc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone?
The InChIKey is BYYFQXJCEZVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(14-6-4-3-5-7-14)11-19-15-8-9-16(13(2)20)17(18)10-15/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone?
1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone has a molecular weight of 287.79 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone is sourced from PubChem (CID 20716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).