N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride

C10H12Cl2F2N2O — CID 119407529

IUPACN-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O.ClH/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14;/h4-5H,1-3,14H2,(H,15,16);1H
InChIKeyXQWYRKUSYFMERL-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.12
Rot. Bonds4

About N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride

N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride (PubChem CID 119407529) has the molecular formula C10H12Cl2F2N2O and a molecular weight of 285.12 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
PubChem CID119407529
Molecular FormulaC10H12Cl2F2N2O
Molecular Weight285.12 g/mol
Exact Mass284.03
IUPAC NameN-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O.ClH/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14;/h4-5H,1-3,14H2,(H,15,16);1H
InChIKeyXQWYRKUSYFMERL-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
CID 119406253
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride (CID 119407529) is N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride is Cl.NCCCNC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride?
The InChIKey is XQWYRKUSYFMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O.ClH/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14;/h4-5H,1-3,14H2,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride?
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride has a molecular weight of 285.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride is sourced from PubChem (CID 119407529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).