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

C18H21ClF2N2O2 — CID 120828496

IUPAC2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-11(21-2)10-22-18(23)15-6-4-12(8-16(15)19)14-7-5-13(24-3)9-17(14)20;/h4-9,11,21H,10H2,1-3H3,(H,22,23);1H
InChIKeyCXNBCAQBRYWSPJ-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.40
Rot. Bonds6

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

2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120828496) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120828496
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O2.ClH/c1-11(21-2)10-22-18(23)15-6-4-12(8-16(15)19)14-7-5-13(24-3)9-17(14)20;/h4-9,11,21H,10H2,1-3H3,(H,22,23);1H
InChIKeyCXNBCAQBRYWSPJ-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
methyl (2S)-3-[cyclopropyl-[2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoyl]amino]-2-methylpropanoate
CID 97312116
N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
CID 119476668
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120828496) is 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F.Cl.
What is the InChIKey of 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is CXNBCAQBRYWSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c1-11(21-2)10-22-18(23)15-6-4-12(8-16(15)19)14-7-5-13(24-3)9-17(14)20;/h4-9,11,21H,10H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride?
2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120828496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).