N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride

C10H13Cl2FN2O — CID 119405370

IUPACN-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O.ClH/c11-7-2-3-8(9(12)6-7)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H
InChIKeyITALETSTUCWQGC-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.98
Rot. Bonds4

About N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride

N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride (PubChem CID 119405370) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
PubChem CID119405370
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC NameN-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O.ClH/c11-7-2-3-8(9(12)6-7)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H
InChIKeyITALETSTUCWQGC-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.98
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

4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
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4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
CID 119406253
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride (CID 119405370) is N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride is Cl.NCCCNC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride?
The InChIKey is ITALETSTUCWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c11-7-2-3-8(9(12)6-7)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride?
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119405370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).