N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide

C25H24FN3O3 — CID 162471156

IUPACN-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyZALSXIKKTLEFHK-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.95
Rot. Bonds8

About N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 162471156) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID162471156
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyZALSXIKKTLEFHK-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide (CID 162471156) is N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide is CN(C(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZALSXIKKTLEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-29(21-14-12-20(26)13-15-21)25(32)22(16-18-8-4-2-5-9-18)28-23(30)17-27-24(31)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 433.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 162471156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).