(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide

C19H21F2N3O3 — CID 10833427

IUPAC(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O3/c1-12(2)17(18(25)23-27)24(11-13-6-4-3-5-7-13)19(26)22-16-9-8-14(20)10-15(16)21/h3-10,12,17,27H,11H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyULQGFGPGBFHXLI-KRWDZBQOSA-N
MW377.39 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide

(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 10833427) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
PubChem CID10833427
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O3/c1-12(2)17(18(25)23-27)24(11-13-6-4-3-5-7-13)19(26)22-16-9-8-14(20)10-15(16)21/h3-10,12,17,27H,11H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyULQGFGPGBFHXLI-KRWDZBQOSA-N
XLogP3.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-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

N-benzyl-N-[1-(2,4-difluoroanilino)-3-methyl-1-sulfanylidenebutan-2-yl]acetamide
CID 139263929
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
1-benzyl-3-(2-fluorophenyl)-1-(1-hydroxy-3-methylbutan-2-yl)urea
CID 111430106
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
CID 101074352
1-benzyl-3-(2,4-difluorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713196
(2S)-2-[benzyl-[(4-chlorophenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 11792903
2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62627122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide (CID 10833427) is (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is ULQGFGPGBFHXLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-12(2)17(18(25)23-27)24(11-13-6-4-3-5-7-13)19(26)22-16-9-8-14(20)10-15(16)21/h3-10,12,17,27H,11H2,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide?
(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 377.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10833427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).