5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide

C15H21FN4O3 — CID 94959792

IUPAC5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H21FN4O3/c1-4-8(2)18-14(22)9(3)19-15(23)20-10-5-6-12(16)11(7-10)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t8-,9-/m1/s1
InChIKeyQWGFQTOYCGFQTN-RKDXNWHRSA-N
MW324.36 g/mol
LogP1.35
Rot. Bonds6

About 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide

5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide (PubChem CID 94959792) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
PubChem CID94959792
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H21FN4O3/c1-4-8(2)18-14(22)9(3)19-15(23)20-10-5-6-12(16)11(7-10)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t8-,9-/m1/s1
InChIKeyQWGFQTOYCGFQTN-RKDXNWHRSA-N
XLogP1.35
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide with MolForge

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Related Compounds

5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
(2R)-N-[(2S)-butan-2-yl]-2-[[4-(dimethylamino)-3,5-difluorophenyl]carbamoylamino]propanamide
CID 95239540
(2S)-N-[(2R)-butan-2-yl]-2-[[4-(dimethylamino)-3,5-difluorophenyl]carbamoylamino]propanamide
CID 95239541
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61199351

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide?
The IUPAC name of 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide (CID 94959792) is 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide?
The InChIKey is QWGFQTOYCGFQTN-RKDXNWHRSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-4-8(2)18-14(22)9(3)19-15(23)20-10-5-6-12(16)11(7-10)13(17)21/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t8-,9-/m1/s1.
What are the key properties of 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide?
5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide has a molecular weight of 324.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide is sourced from PubChem (CID 94959792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).