4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide

C14H19FN4O3 — CID 102561077

IUPAC4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O
InChIInChI=1S/C14H19FN4O3/c1-14(2,3)10(12(17)21)19-13(22)18-7-4-5-8(11(16)20)9(15)6-7/h4-6,10H,1-3H3,(H2,16,20)(H2,17,21)(H2,18,19,22)
InChIKeyARBWWIUYTWUAPU-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.95
Rot. Bonds4

About 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide

4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide (PubChem CID 102561077) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide
PubChem CID102561077
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O
InChIInChI=1S/C14H19FN4O3/c1-14(2,3)10(12(17)21)19-13(22)18-7-4-5-8(11(16)20)9(15)6-7/h4-6,10H,1-3H3,(H2,16,20)(H2,17,21)(H2,18,19,22)
InChIKeyARBWWIUYTWUAPU-UHFFFAOYSA-N
XLogP0.95
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190553
(2R)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927550
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-fluorobenzoic acid
CID 107795962
1-(3,4-difluorophenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3763326
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
CID 66617902
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120
5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
CID 94959792
2-fluoro-4-(hexan-3-ylcarbamoylamino)benzoic acid
CID 107796239
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide?
The IUPAC name of 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide (CID 102561077) is 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide.
What is the SMILES notation for 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide?
The canonical SMILES for 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide is CC(C)(C)C(NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O.
What is the InChIKey of 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide?
The InChIKey is ARBWWIUYTWUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-14(2,3)10(12(17)21)19-13(22)18-7-4-5-8(11(16)20)9(15)6-7/h4-6,10H,1-3H3,(H2,16,20)(H2,17,21)(H2,18,19,22).
What are the key properties of 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide?
4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide has a molecular weight of 310.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoylamino]-2-fluorobenzamide is sourced from PubChem (CID 102561077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).