4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C10H13Cl2FN2O — CID 119500505

IUPAC4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-13-4-5-14-10(15)8-3-2-7(11)6-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H
InChIKeyYYNWRSVUEVDGFC-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.85
Rot. Bonds4

About 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119500505) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119500505
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-13-4-5-14-10(15)8-3-2-7(11)6-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H
InChIKeyYYNWRSVUEVDGFC-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 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 ≤ 51.85
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

2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
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CID 119500583
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119500505) is 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is YYNWRSVUEVDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-13-4-5-14-10(15)8-3-2-7(11)6-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H.
What are the key properties of 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119500505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).