4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid

C16H17N3O3 — CID 51062889

IUPAC4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
SMILESCc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C16H17N3O3/c1-10-3-6-14(9-11(10)2)17-16(22)19-18-13-7-4-12(5-8-13)15(20)21/h3-9,18H,1-2H3,(H,20,21)(H2,17,19,22)
InChIKeySFSNDCWUCWBJEF-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.15
Rot. Bonds4

About 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid

4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid (PubChem CID 51062889) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
PubChem CID51062889
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
SMILESCc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C16H17N3O3/c1-10-3-6-14(9-11(10)2)17-16(22)19-18-13-7-4-12(5-8-13)15(20)21/h3-9,18H,1-2H3,(H,20,21)(H2,17,19,22)
InChIKeySFSNDCWUCWBJEF-UHFFFAOYSA-N
XLogP3.15
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylanilino)benzoic acid
CID 62230347
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(3,4-dimethylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11428013
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid (CID 51062889) is 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid is Cc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid?
The InChIKey is SFSNDCWUCWBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-6-14(9-11(10)2)17-16(22)19-18-13-7-4-12(5-8-13)15(20)21/h3-9,18H,1-2H3,(H,20,21)(H2,17,19,22).
What are the key properties of 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid?
4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid is sourced from PubChem (CID 51062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).