2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride

C18H22ClFN2O — CID 119429870

IUPAC2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13-4-6-14(7-5-13)15-8-9-16(17(19)12-15)18(22)21-11-3-10-20-2;/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22);1H
InChIKeyQQWUCJKTZPVOCF-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.56
Rot. Bonds6

About 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride

2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride (PubChem CID 119429870) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
PubChem CID119429870
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-13-4-6-14(7-5-13)15-8-9-16(17(19)12-15)18(22)21-11-3-10-20-2;/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22);1H
InChIKeyQQWUCJKTZPVOCF-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.56
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

6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
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4-methyl-N-[3-(methylamino)propyl]benzamide
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2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
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2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
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N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
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2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
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5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
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CID 119521671

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride (CID 119429870) is 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride is CNCCCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F.Cl.
What is the InChIKey of 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride?
The InChIKey is QQWUCJKTZPVOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-13-4-6-14(7-5-13)15-8-9-16(17(19)12-15)18(22)21-11-3-10-20-2;/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride?
2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119429870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).