4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide

C19H21ClN2O3 — CID 10133172

IUPAC4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C19H21ClN2O3/c20-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19(24)21-13-3-1-2-4-18(23)22-25/h5-12,25H,1-4,13H2,(H,21,24)(H,22,23)
InChIKeyVDFAOYIBOGBUBL-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.80
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide

4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide (PubChem CID 10133172) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
PubChem CID10133172
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C19H21ClN2O3/c20-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19(24)21-13-3-1-2-4-18(23)22-25/h5-12,25H,1-4,13H2,(H,21,24)(H,22,23)
InChIKeyVDFAOYIBOGBUBL-UHFFFAOYSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide (CID 10133172) is 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NO.
What is the InChIKey of 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide?
The InChIKey is VDFAOYIBOGBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19(24)21-13-3-1-2-4-18(23)22-25/h5-12,25H,1-4,13H2,(H,21,24)(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide?
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide is sourced from PubChem (CID 10133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).