N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide

C13H17ClN2O — CID 113464736

IUPACN-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
SMILESC=C(Cl)CNC(=O)c1ccccc1NCCC
InChIInChI=1S/C13H17ClN2O/c1-3-8-15-12-7-5-4-6-11(12)13(17)16-9-10(2)14/h4-7,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyUHDJTQHVEUWLHU-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.99
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide

N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide (PubChem CID 113464736) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
PubChem CID113464736
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
SMILESC=C(Cl)CNC(=O)c1ccccc1NCCC
InChIInChI=1S/C13H17ClN2O/c1-3-8-15-12-7-5-4-6-11(12)13(17)16-9-10(2)14/h4-7,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyUHDJTQHVEUWLHU-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-(2,2-diethoxyethyl)-2-(propylamino)benzamide
CID 79538539
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
CID 64732342

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide (CID 113464736) is N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide is C=C(Cl)CNC(=O)c1ccccc1NCCC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide?
The InChIKey is UHDJTQHVEUWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-8-15-12-7-5-4-6-11(12)13(17)16-9-10(2)14/h4-7,15H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide?
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide is sourced from PubChem (CID 113464736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).