3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide

C12H14Cl2N2O — CID 60722944

IUPAC3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-8-1-4-11(10(14)7-8)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyXYSWCVWYRNOVNC-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.07
Rot. Bonds5

About 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide

3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 60722944) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
PubChem CID60722944
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-8-1-4-11(10(14)7-8)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyXYSWCVWYRNOVNC-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide (CID 60722944) is 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide is O=C(CCNC1CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is XYSWCVWYRNOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-8-1-4-11(10(14)7-8)16-12(17)5-6-15-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide?
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 273.16 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 60722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).