2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide

C17H16Cl3N3O3 — CID 23645838

IUPAC2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl3N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-12-6-7-14(19)15(20)8-12/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyQFHVLTIGPXUXEE-UHFFFAOYSA-N
MW416.69 g/mol
LogP4.57
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide (PubChem CID 23645838) has the molecular formula C17H16Cl3N3O3 and a molecular weight of 416.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide
PubChem CID23645838
Molecular FormulaC17H16Cl3N3O3
Molecular Weight416.69 g/mol
Exact Mass415.03
IUPAC Name2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl3N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-12-6-7-14(19)15(20)8-12/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24)
InChIKeyQFHVLTIGPXUXEE-UHFFFAOYSA-N
XLogP4.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 54.57
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

NAcM-OPT
CID 126711307
Urea, N'-(3,4-dichlorophenyl)-N,N-bis(phenylmethyl)-
CID 989140
(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
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 44561123
(S)-2-((3,4-dichlorophenyl)(methyl)amino)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide
CID 44561156
N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 3236712
4-(3,4-dichlorophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 3444958
1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-4-methyl-pentyl}-3-p-tolyl-urea
CID 44401047
1-Benzyl-3-(3,4-dichlorophenyl)-1-methylurea
CID 307049
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide (CID 23645838) is 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
The InChIKey is QFHVLTIGPXUXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O3/c1-10(16(24)22-26)23(9-11-4-2-3-5-13(11)18)17(25)21-12-6-7-14(19)15(20)8-12/h2-8,10,26H,9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide has a molecular weight of 416.69 g/mol, XLogP of 4.57, 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-[(3,4-dichlorophenyl)carbamoyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).