N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide

C13H17FN2O2 — CID 113092923

IUPACN-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(F)cc1NC(=O)CC(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)6-13(18)16-12-7-10(14)4-5-11(12)15-9(3)17/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQSQDPYZSLNWVCB-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.77
Rot. Bonds4

About N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide

N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide (PubChem CID 113092923) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
PubChem CID113092923
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(F)cc1NC(=O)CC(C)C
InChIInChI=1S/C13H17FN2O2/c1-8(2)6-13(18)16-12-7-10(14)4-5-11(12)15-9(3)17/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQSQDPYZSLNWVCB-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954
3,4-bis(3-methylbutanoylamino)benzoic acid
CID 5099816
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide (CID 113092923) is N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide is CC(=O)Nc1ccc(F)cc1NC(=O)CC(C)C.
What is the InChIKey of N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide?
The InChIKey is QSQDPYZSLNWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(2)6-13(18)16-12-7-10(14)4-5-11(12)15-9(3)17/h4-5,7-8H,6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide?
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide has a molecular weight of 252.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 113092923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).