2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide

C17H16ClF2N3O3 — CID 23645837

IUPAC2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyNISHVZDXGZLCLD-UHFFFAOYSA-N
MW383.78 g/mol
LogP3.55
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide (PubChem CID 23645837) has the molecular formula C17H16ClF2N3O3 and a molecular weight of 383.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
PubChem CID23645837
Molecular FormulaC17H16ClF2N3O3
Molecular Weight383.78 g/mol
Exact Mass383.08
IUPAC Name2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyNISHVZDXGZLCLD-UHFFFAOYSA-N
XLogP3.55
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 53.55
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 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide 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

(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 54582965
(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
1,2-Pyrrolidinedicarboxamide,N2-[(4-chlorophenyl)methyl]-N2-methyl-N1-[4-(trifluoromethyl)phenyl]-,(2R)-
CID 24782826
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783426
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-phenyl-prolinamide
CID 49864874
1-(2-Chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52946739
(R)-1-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-phenylurea
CID 57888949
2-{[(2-Chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}propanoic acid
CID 23645824
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide (CID 23645837) is 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The InChIKey is NISHVZDXGZLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide has a molecular weight of 383.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).