4-chloro-N-[3-(cyclopropylamino)propyl]benzamide

C13H17ClN2O — CID 43596460

IUPAC4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
SMILESO=C(NCCCNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)13(17)16-9-1-8-15-12-6-7-12/h2-5,12,15H,1,6-9H2,(H,16,17)
InChIKeyJBTPCLIIOVRDPR-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.21
Rot. Bonds6

About 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide

4-chloro-N-[3-(cyclopropylamino)propyl]benzamide (PubChem CID 43596460) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
PubChem CID43596460
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
SMILESO=C(NCCCNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)13(17)16-9-1-8-15-12-6-7-12/h2-5,12,15H,1,6-9H2,(H,16,17)
InChIKeyJBTPCLIIOVRDPR-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
CID 82816392
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596539
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide (CID 43596460) is 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide is O=C(NCCCNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The InChIKey is JBTPCLIIOVRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-4-2-10(3-5-11)13(17)16-9-1-8-15-12-6-7-12/h2-5,12,15H,1,6-9H2,(H,16,17).
What are the key properties of 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclopropylamino)propyl]benzamide is sourced from PubChem (CID 43596460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).