(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

C17H14Cl2N2O4 — CID 10271176

IUPAC(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H14Cl2N2O4/c18-13-6-3-11(9-14(13)19)17(24)20-12-4-1-10(2-5-12)15(21-25)7-8-16(22)23/h1-6,9,25H,7-8H2,(H,20,24)(H,22,23)/b21-15-
InChIKeyJGWJUUNZEUYHDY-QNGOZBTKSA-N
MW381.22 g/mol
LogP4.29
Rot. Bonds6

About (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid

(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (PubChem CID 10271176) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
PubChem CID10271176
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
SMILESO=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H14Cl2N2O4/c18-13-6-3-11(9-14(13)19)17(24)20-12-4-1-10(2-5-12)15(21-25)7-8-16(22)23/h1-6,9,25H,7-8H2,(H,20,24)(H,22,23)/b21-15-
InChIKeyJGWJUUNZEUYHDY-QNGOZBTKSA-N
XLogP4.29
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 22992471
(4Z)-4-[4-[(4-ethylbenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10268829
(4Z)-4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 10309256
4-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014498
4-[4-[(2,4-difluorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid
CID 74014492
4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014468
(4E)-4-[4-(butanoylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 22992451
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The IUPAC name of (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid (CID 10271176) is (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid.
What is the SMILES notation for (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The canonical SMILES for (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is O=C(O)CC/C(=N/O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
The InChIKey is JGWJUUNZEUYHDY-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c18-13-6-3-11(9-14(13)19)17(24)20-12-4-1-10(2-5-12)15(21-25)7-8-16(22)23/h1-6,9,25H,7-8H2,(H,20,24)(H,22,23)/b21-15-.
What are the key properties of (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid?
(4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid has a molecular weight of 381.22 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid is sourced from PubChem (CID 10271176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).