(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide

C24H25FN2O — CID 8516208

IUPAC(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H25FN2O/c1-18(27(2)17-19-10-9-15-22(25)16-19)24(28)26-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyDZPCGFJESLNOJG-GOSISDBHSA-N
MW376.48 g/mol
LogP4.55
Rot. Bonds7

About (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide

(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 8516208) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
PubChem CID8516208
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C24H25FN2O/c1-18(27(2)17-19-10-9-15-22(25)16-19)24(28)26-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyDZPCGFJESLNOJG-GOSISDBHSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
CID 78815730
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 47007628
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide (CID 8516208) is (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide is C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is DZPCGFJESLNOJG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-18(27(2)17-19-10-9-15-22(25)16-19)24(28)26-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,18,23H,17H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide?
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 376.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).