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

C19H20FN3O3 — CID 40972283

IUPAC3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)12-6-8-14(20)9-7-12)19(26)22-15-5-3-4-13(10-15)17(21)24/h3-11,16H,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyINUBJYFFFRIIPR-INIZCTEOSA-N
MW357.39 g/mol
LogP2.32
Rot. Bonds6

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

3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide (PubChem CID 40972283) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
PubChem CID40972283
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)12-6-8-14(20)9-7-12)19(26)22-15-5-3-4-13(10-15)17(21)24/h3-11,16H,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyINUBJYFFFRIIPR-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

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Related Compounds

4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
3-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzamide
CID 55586482
4-fluoro-N-[1-[3-(hydroxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 110877155
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
N-[1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 74292237
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
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-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 43005167
N-[1-[4-(dimethylamino)-3,5-difluoroanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55862542
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The IUPAC name of 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide (CID 40972283) is 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The canonical SMILES for 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide is CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
The InChIKey is INUBJYFFFRIIPR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11(2)16(23-18(25)12-6-8-14(20)9-7-12)19(26)22-15-5-3-4-13(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 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide?
3-[[(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 3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 40972283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).