2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide

C14H19FN2O2 — CID 4795248

IUPAC2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(2)13(17-10(3)18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXHFPCGCVKFGDLM-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.60
Rot. Bonds5

About 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide

2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 4795248) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID4795248
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(2)13(17-10(3)18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXHFPCGCVKFGDLM-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lacosamide
CID 219078
Lisdexamfetamine
CID 11597698
Spm-6953
CID 10634426
N-benzyl-2-acetamido-3-methoxypropionamide
CID 21634109
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (CID 4795248) is 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCc1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is XHFPCGCVKFGDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(2)13(17-10(3)18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 266.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 4795248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).