4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide

C19H20FN3O3 — CID 9255043

IUPAC4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)13-3-7-14(20)8-4-13)19(26)22-15-9-5-12(6-10-15)17(21)24/h3-11,16H,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyVNWOWKVNAKLULC-INIZCTEOSA-N
MW357.39 g/mol
LogP2.32
Rot. Bonds6

About 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide

4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide (PubChem CID 9255043) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
PubChem CID9255043
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)13-3-7-14(20)8-4-13)19(26)22-15-9-5-12(6-10-15)17(21)24/h3-11,16H,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyVNWOWKVNAKLULC-INIZCTEOSA-N
XLogP2.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide with MolForge

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Related Compounds

4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 40972283
ethyl 4-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 4805935
N-[1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 74292237
N-[(2S)-1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7610613
4-fluoro-N-[(2S)-3-methyl-1-(4-methyl-3-sulfamoylanilino)-1-oxobutan-2-yl]benzamide
CID 9256983
4-fluoro-N-[1-[3-(hydroxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 110877155
N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 30294717
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-[1-[4-(dimethylamino)-3,5-difluoroanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55862542
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
3-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzamide
CID 55586482

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide (CID 9255043) is 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide is CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The InChIKey is VNWOWKVNAKLULC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)13-3-7-14(20)8-4-13)19(26)22-15-9-5-12(6-10-15)17(21)24/h3-11,16H,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide has a molecular weight of 357.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 9255043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).