(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide

C17H17ClFN3O3 — CID 23645834

IUPAC(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyUUWMGOKJFATOOW-NSHDSACASA-N
MW365.79 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide

(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide (PubChem CID 23645834) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
PubChem CID23645834
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyUUWMGOKJFATOOW-NSHDSACASA-N
XLogP3.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.41
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'}

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Related Compounds

(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 54582965
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxyhexanamide
CID 52949570
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
2-[3-(4-Fluoro-phenyl)-1-(2-nitro-benzyl)-ureido]-N-hydroxy-propionamide
CID 44312195
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The IUPAC name of (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide (CID 23645834) is (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide is C[C@@H](C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The InChIKey is UUWMGOKJFATOOW-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
(2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide has a molecular weight of 365.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).