2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide

C21H21ClN2O — CID 55593679

IUPAC2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H21ClN2O/c1-2-11-24(14-16-9-7-15(13-23)8-10-16)21(25)19-12-18(19)17-5-3-4-6-20(17)22/h3-10,18-19H,2,11-12,14H2,1H3
InChIKeyFNDAMXYXYCTRCS-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.75
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 55593679) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
PubChem CID55593679
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H21ClN2O/c1-2-11-24(14-16-9-7-15(13-23)8-10-16)21(25)19-12-18(19)17-5-3-4-6-20(17)22/h3-10,18-19H,2,11-12,14H2,1H3
InChIKeyFNDAMXYXYCTRCS-UHFFFAOYSA-N
XLogP4.75
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]cyclopropane-1-carboxamide
CID 164905323
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
CID 79209292
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
2-(2-chlorophenyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 55588882
(2S,4S)-N-[(4-cyanophenyl)methyl]-4-methoxy-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 128978454
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346810
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55594138
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide (CID 55593679) is 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is FNDAMXYXYCTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-2-11-24(14-16-9-7-15(13-23)8-10-16)21(25)19-12-18(19)17-5-3-4-6-20(17)22/h3-10,18-19H,2,11-12,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 55593679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).