2-chloro-4-(dimethylcarbamoyl)benzoic acid

C10H10ClNO3 — CID 66878016

IUPAC2-chloro-4-(dimethylcarbamoyl)benzoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5H,1-2H3,(H,14,15)
InChIKeyFGNYMNNGKBDHKW-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.74
Rot. Bonds2

About 2-chloro-4-(dimethylcarbamoyl)benzoic acid

2-chloro-4-(dimethylcarbamoyl)benzoic acid (PubChem CID 66878016) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoyl)benzoic acid
PubChem CID66878016
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-chloro-4-(dimethylcarbamoyl)benzoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5H,1-2H3,(H,14,15)
InChIKeyFGNYMNNGKBDHKW-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(dimethylcarbamoyl)benzoic acid (CID 66878016) is 2-chloro-4-(dimethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoyl)benzoic acid is CN(C)C(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoyl)benzoic acid?
The InChIKey is FGNYMNNGKBDHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-4-(dimethylcarbamoyl)benzoic acid?
2-chloro-4-(dimethylcarbamoyl)benzoic acid has a molecular weight of 227.65 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoyl)benzoic acid is sourced from PubChem (CID 66878016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).