2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid

C10H10ClN3O3 — CID 19168580

IUPAC2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
SMILESCC(=NNC(=O)Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10ClN3O3/c1-6(9(15)16)13-14-10(17)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,15,16)(H2,12,14,17)
InChIKeyOOVILGFXILOOKJ-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.92
Rot. Bonds3

About 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid

2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid (PubChem CID 19168580) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
PubChem CID19168580
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
SMILESCC(=NNC(=O)Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H10ClN3O3/c1-6(9(15)16)13-14-10(17)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,15,16)(H2,12,14,17)
InChIKeyOOVILGFXILOOKJ-UHFFFAOYSA-N
XLogP1.92
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
4-[(3-chlorophenyl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992132
(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
CID 7081380
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
CID 73055968
CID 73055968
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
CID 23269447
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
methyl N-(3-chlorophenyl)carbamate
CID 16529
(3-chlorophenyl)carbamoyliminocarbamic acid
CID 69123741
CID 168763640
CID 168763640

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid (CID 19168580) is 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid is CC(=NNC(=O)Nc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid?
The InChIKey is OOVILGFXILOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-6(9(15)16)13-14-10(17)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H,15,16)(H2,12,14,17).
What are the key properties of 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid?
2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid has a molecular weight of 255.66 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid is sourced from PubChem (CID 19168580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).