2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide

C15H21ClN2O — CID 115576766

IUPAC2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
SMILESCCC(NC(C)C(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBXKWWOOXFOTYAT-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.05
Rot. Bonds6

About 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide

2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide (PubChem CID 115576766) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
PubChem CID115576766
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
SMILESCCC(NC(C)C(=O)NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyBXKWWOOXFOTYAT-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112811643
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 112817108
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide (CID 115576766) is 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide is CCC(NC(C)C(=O)NC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide?
The InChIKey is BXKWWOOXFOTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide?
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 115576766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).