2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide

C18H18ClN3O — CID 112841761

IUPAC2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide
SMILESCCC(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-2-17(14-4-3-5-15(19)10-14)21-12-18(23)22-16-8-6-13(11-20)7-9-16/h3-10,17,21H,2,12H2,1H3,(H,22,23)
InChIKeyLTOGTTROSMCVBT-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.89
Rot. Bonds6

About 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide

2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide (PubChem CID 112841761) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide
PubChem CID112841761
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide
SMILESCCC(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O/c1-2-17(14-4-3-5-15(19)10-14)21-12-18(23)22-16-8-6-13(11-20)7-9-16/h3-10,17,21H,2,12H2,1H3,(H,22,23)
InChIKeyLTOGTTROSMCVBT-UHFFFAOYSA-N
XLogP3.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043636
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
CID 54845800
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-(4-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide (CID 112841761) is 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide is CCC(NCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide?
The InChIKey is LTOGTTROSMCVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-17(14-4-3-5-15(19)10-14)21-12-18(23)22-16-8-6-13(11-20)7-9-16/h3-10,17,21H,2,12H2,1H3,(H,22,23).
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide?
2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide has a molecular weight of 327.82 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 112841761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).