(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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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).