2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide

C21H16Cl2N2O3 — CID 135320601

IUPAC2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-15-8-11-17(18(23)12-15)20(26)24-16-9-6-14(7-10-16)19(21(27)25-28)13-4-2-1-3-5-13/h1-12,19,28H,(H,24,26)(H,25,27)
InChIKeyZFHUKQFQJKTRJA-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.88
Rot. Bonds5

About 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide

2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide (PubChem CID 135320601) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
PubChem CID135320601
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-15-8-11-17(18(23)12-15)20(26)24-16-9-6-14(7-10-16)19(21(27)25-28)13-4-2-1-3-5-13/h1-12,19,28H,(H,24,26)(H,25,27)
InChIKeyZFHUKQFQJKTRJA-UHFFFAOYSA-N
XLogP4.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.88
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

2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21169072
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,4-dichlorobenzamide
CID 18902302
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
CID 87444046
2-[4-[(4-chlorophenyl)methylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 25155891
N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide (CID 135320601) is 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide is O=C(Nc1ccc(C(C(=O)NO)c2ccccc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide?
The InChIKey is ZFHUKQFQJKTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-15-8-11-17(18(23)12-15)20(26)24-16-9-6-14(7-10-16)19(21(27)25-28)13-4-2-1-3-5-13/h1-12,19,28H,(H,24,26)(H,25,27).
What are the key properties of 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide?
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide is sourced from PubChem (CID 135320601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).