4-chloro-2-formamidobenzoic acid

C8H6ClNO3 — CID 61146469

IUPAC4-chloro-2-formamidobenzoic acid
SMILESO=CNc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H6ClNO3/c9-5-1-2-6(8(12)13)7(3-5)10-4-11/h1-4H,(H,10,11)(H,12,13)
InChIKeyNECABFDZAZQUHX-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.61
Rot. Bonds3

About 4-chloro-2-formamidobenzoic acid

4-chloro-2-formamidobenzoic acid (PubChem CID 61146469) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is 4-chloro-2-formamidobenzoic acid.

Molecular Properties

Compound Name4-chloro-2-formamidobenzoic acid
PubChem CID61146469
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name4-chloro-2-formamidobenzoic acid
SMILESO=CNc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C8H6ClNO3/c9-5-1-2-6(8(12)13)7(3-5)10-4-11/h1-4H,(H,10,11)(H,12,13)
InChIKeyNECABFDZAZQUHX-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis(2-(2-carboxy-5-chloroanilino)-4-chlorobenzoate);hydron
CID 139054631
2-(tert-butylsulfonylamino)-4-chlorobenzoic acid
CID 63688405
2-formamido-4-(1,2,4-triazol-4-yl)benzoic acid
CID 168650875
4-chloro-2-(methylsulfamoylamino)benzoic acid
CID 114805243
sodium 2-(2-carboxy-5-chloroanilino)acetate
CID 66684909
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627
4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
CID 168653528
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-formamidobenzoic acid?
The IUPAC name of 4-chloro-2-formamidobenzoic acid (CID 61146469) is 4-chloro-2-formamidobenzoic acid.
What is the SMILES notation for 4-chloro-2-formamidobenzoic acid?
The canonical SMILES for 4-chloro-2-formamidobenzoic acid is O=CNc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-formamidobenzoic acid?
The InChIKey is NECABFDZAZQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-5-1-2-6(8(12)13)7(3-5)10-4-11/h1-4H,(H,10,11)(H,12,13).
What are the key properties of 4-chloro-2-formamidobenzoic acid?
4-chloro-2-formamidobenzoic acid has a molecular weight of 199.59 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-formamidobenzoic acid is sourced from PubChem (CID 61146469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).