2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide

C17H19ClN2O — CID 112841756

IUPAC2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
SMILESCCC(NCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-2-16(13-7-6-8-14(18)11-13)19-12-17(21)20-15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeyOAOIFEUUPULFRZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.02
Rot. Bonds6

About 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide

2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide (PubChem CID 112841756) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
PubChem CID112841756
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
SMILESCCC(NCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-2-16(13-7-6-8-14(18)11-13)19-12-17(21)20-15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeyOAOIFEUUPULFRZ-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide
CID 112841761
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
CID 54845800
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845868
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide (CID 112841756) is 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide is CCC(NCC(=O)Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide?
The InChIKey is OAOIFEUUPULFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-16(13-7-6-8-14(18)11-13)19-12-17(21)20-15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide?
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide is sourced from PubChem (CID 112841756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).