3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide

C23H20ClN3O4 — CID 87916115

IUPAC3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(-c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-27(2)23(30)18-11-17(14-3-5-16(6-4-14)22(29)26-31)12-20(13-18)25-21(28)15-7-9-19(24)10-8-15/h3-13,31H,1-2H3,(H,25,28)(H,26,29)
InChIKeyXUSOGHGNYAFODO-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.08
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide

3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide (PubChem CID 87916115) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide
PubChem CID87916115
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(-c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-27(2)23(30)18-11-17(14-3-5-16(6-4-14)22(29)26-31)12-20(13-18)25-21(28)15-7-9-19(24)10-8-15/h3-13,31H,1-2H3,(H,25,28)(H,26,29)
InChIKeyXUSOGHGNYAFODO-UHFFFAOYSA-N
XLogP4.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-(3,5-dibenzamidophenyl)-N-hydroxybenzamide
CID 10238468
N-[3-[dimethylamino(hydroxy)methyl]-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methylbenzamide
CID 134277245
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
4-chloro-N-hydroxybenzamide
CID 587178
1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylcarbamoyl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 54606215
N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide
CID 87916077
3-[(4-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232054
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide (CID 87916115) is 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(-c2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is XUSOGHGNYAFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-27(2)23(30)18-11-17(14-3-5-16(6-4-14)22(29)26-31)12-20(13-18)25-21(28)15-7-9-19(24)10-8-15/h3-13,31H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide?
3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 437.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-5-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 87916115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).