N-(3-aminopropyl)-5-chloro-2-methylbenzamide

C11H15ClN2O — CID 82883577

IUPACN-(3-aminopropyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCN
InChIInChI=1S/C11H15ClN2O/c1-8-3-4-9(12)7-10(8)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyAAXCXYIWHVQAGG-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.73
Rot. Bonds4

About N-(3-aminopropyl)-5-chloro-2-methylbenzamide

N-(3-aminopropyl)-5-chloro-2-methylbenzamide (PubChem CID 82883577) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-2-methylbenzamide
PubChem CID82883577
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(3-aminopropyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCN
InChIInChI=1S/C11H15ClN2O/c1-8-3-4-9(12)7-10(8)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyAAXCXYIWHVQAGG-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.73
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-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-5-chloro-2-methylbenzamide (CID 82883577) is N-(3-aminopropyl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-2-methylbenzamide?
The InChIKey is AAXCXYIWHVQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-3-4-9(12)7-10(8)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminopropyl)-5-chloro-2-methylbenzamide?
N-(3-aminopropyl)-5-chloro-2-methylbenzamide has a molecular weight of 226.71 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82883577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).