2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide

C23H22F2N2O — CID 8596226

IUPAC2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C23H22F2N2O/c1-16(20-13-12-19(24)14-21(20)25)27-22(28)15-26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,16,23,26H,15H2,1H3,(H,27,28)/t16-/m1/s1
InChIKeyDARNUJFNDMSFGB-MRXNPFEDSA-N
MW380.44 g/mol
LogP4.52
Rot. Bonds7

About 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide

2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 8596226) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID8596226
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C23H22F2N2O/c1-16(20-13-12-19(24)14-21(20)25)27-22(28)15-26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,16,23,26H,15H2,1H3,(H,27,28)/t16-/m1/s1
InChIKeyDARNUJFNDMSFGB-MRXNPFEDSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 8596226) is 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is DARNUJFNDMSFGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22F2N2O/c1-16(20-13-12-19(24)14-21(20)25)27-22(28)15-26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,16,23,26H,15H2,1H3,(H,27,28)/t16-/m1/s1.
What are the key properties of 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 8596226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).