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

C17H17Cl2N3O3 — CID 23645836

IUPAC2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)19)17(24)20-14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyOKOMYJYOLMGBMI-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.92
Rot. Bonds5

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

2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 23645836) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID23645836
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)19)17(24)20-14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyOKOMYJYOLMGBMI-UHFFFAOYSA-N
XLogP3.92
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.92
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

(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
(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
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
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
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
2-{[(2-chlorophenyl)methyl][(3,4-dichlorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645838
2-{[(2-chlorophenyl)methyl](naphthalen-1-ylcarbamoyl)amino}-N-hydroxypropanamide
CID 23645839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (CID 23645836) is 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is OKOMYJYOLMGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-11(16(23)21-25)22(10-12-4-2-3-5-15(12)19)17(24)20-14-8-6-13(18)7-9-14/h2-9,11,25H,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 382.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).