2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide

C21H24FN3O3 — CID 55612429

IUPAC2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C21H24FN3O3/c1-12(2)10-18(25-20(27)15-7-5-4-6-13(15)3)21(28)24-14-8-9-17(22)16(11-14)19(23)26/h4-9,11-12,18H,10H2,1-3H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyGBAMLBSZSARJAU-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.02
Rot. Bonds7

About 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide

2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide (PubChem CID 55612429) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
PubChem CID55612429
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C21H24FN3O3/c1-12(2)10-18(25-20(27)15-7-5-4-6-13(15)3)21(28)24-14-8-9-17(22)16(11-14)19(23)26/h4-9,11-12,18H,10H2,1-3H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyGBAMLBSZSARJAU-UHFFFAOYSA-N
XLogP3.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
CID 2553970
N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55618994
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 41117900
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide (CID 55612429) is 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide?
The InChIKey is GBAMLBSZSARJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-12(2)10-18(25-20(27)15-7-5-4-6-13(15)3)21(28)24-14-8-9-17(22)16(11-14)19(23)26/h4-9,11-12,18H,10H2,1-3H3,(H2,23,26)(H,24,28)(H,25,27).
What are the key properties of 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide?
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide has a molecular weight of 385.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide is sourced from PubChem (CID 55612429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).