3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide

C21H18F2N2O — CID 24832041

IUPAC3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc([C@H](N)Cc3cc(F)ccc3F)cc2)c1
InChIInChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
InChIKeyJYKFWUXBFJJDTP-HXUWFJFHSA-N
MW352.38 g/mol
LogP3.97
Rot. Bonds5

About 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide

3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide (PubChem CID 24832041) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide
PubChem CID24832041
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc([C@H](N)Cc3cc(F)ccc3F)cc2)c1
InChIInChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
InChIKeyJYKFWUXBFJJDTP-HXUWFJFHSA-N
XLogP3.97
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3R)-3-{[2-(3,4-difluorophenyl)-2-oxoethyl]amino}butyl]benzamide
CID 23647080
N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
CID 3693136
4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzamide
CID 11976769
N-(2-(bis(3-fluorophenyl)methylamino)-2-oxoethyl)-4-fluorobenzamide
CID 24743795
4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phenyl)methylamino)ethyl)benzamide
CID 24899995
4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)ethyl)benzamide
CID 24900236
4''''-Fluoro-biphenyl-4-carboxylic acid (1-benzyl-pyrrolidin-3-yl)-amide
CID 44394618
3''''-Fluoro-biphenyl-4-carboxylic acid (1-benzyl-pyrrolidin-3-yl)-amide
CID 44394629
4-fluoro-N-(2-oxo-2-(phenyl(p-tolyl)methylamino)ethyl)benzamide
CID 44579233
4'-Fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890370
N'-butyl-2',3'-difluoro-[1,1'-biphenyl]-4-carbohydrazide
CID 118418385
N-cyclohexylbiphenyl-4-carboxamide
CID 693070

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide (CID 24832041) is 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide is NC(=O)c1cccc(-c2ccc([C@H](N)Cc3cc(F)ccc3F)cc2)c1.
What is the InChIKey of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide?
The InChIKey is JYKFWUXBFJJDTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide?
3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide has a molecular weight of 352.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide is sourced from PubChem (CID 24832041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).