2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid

C25H25FN2O5 — CID 42913580

IUPAC2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
SMILESCC(NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H23FN2O.C2H2O4/c1-17(18-12-14-21(24)15-13-18)26-22(27)16-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20;3-1(4)2(5)6/h2-15,17,23,25H,16H2,1H3,(H,26,27);(H,3,4)(H,5,6)
InChIKeyRQNRKQYUFSSCDU-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.54
Rot. Bonds7

About 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid

2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid (PubChem CID 42913580) has the molecular formula C25H25FN2O5 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
PubChem CID42913580
Molecular FormulaC25H25FN2O5
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
SMILESCC(NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H23FN2O.C2H2O4/c1-17(18-12-14-21(24)15-13-18)26-22(27)16-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20;3-1(4)2(5)6/h2-15,17,23,25H,16H2,1H3,(H,26,27);(H,3,4)(H,5,6)
InChIKeyRQNRKQYUFSSCDU-UHFFFAOYSA-N
XLogP3.54
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid?
The IUPAC name of 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid (CID 42913580) is 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid.
What is the SMILES notation for 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid?
The canonical SMILES for 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid is CC(NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid?
The InChIKey is RQNRKQYUFSSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O.C2H2O4/c1-17(18-12-14-21(24)15-13-18)26-22(27)16-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20;3-1(4)2(5)6/h2-15,17,23,25H,16H2,1H3,(H,26,27);(H,3,4)(H,5,6).
What are the key properties of 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid?
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid has a molecular weight of 452.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid is sourced from PubChem (CID 42913580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).