N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide

C24H24F2N2O — CID 55542481

IUPACN-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F2N2O/c1-17(28(2)16-20-13-14-21(25)15-22(20)26)24(29)27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,23H,16H2,1-2H3,(H,27,29)
InChIKeyOQKYTSUJIBTPKU-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.69
Rot. Bonds7

About N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide

N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide (PubChem CID 55542481) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
PubChem CID55542481
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F2N2O/c1-17(28(2)16-20-13-14-21(25)15-22(20)26)24(29)27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,23H,16H2,1-2H3,(H,27,29)
InChIKeyOQKYTSUJIBTPKU-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24664447
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
CID 38228396
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methyl-methylamino]propan-1-one
CID 30749041
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide (CID 55542481) is N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide is CC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The InChIKey is OQKYTSUJIBTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c1-17(28(2)16-20-13-14-21(25)15-22(20)26)24(29)27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,23H,16H2,1-2H3,(H,27,29).
What are the key properties of N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide has a molecular weight of 394.47 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 55542481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).