4-carbamoyl-2,5-dimethylbenzoic acid

C10H11NO3 — CID 165441285

IUPAC4-carbamoyl-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)cc1C(N)=O
InChIInChI=1S/C10H11NO3/c1-5-4-8(10(13)14)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyDRBLMBAPAOFNAG-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.10
Rot. Bonds2

About 4-carbamoyl-2,5-dimethylbenzoic acid

4-carbamoyl-2,5-dimethylbenzoic acid (PubChem CID 165441285) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-carbamoyl-2,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-carbamoyl-2,5-dimethylbenzoic acid
PubChem CID165441285
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-carbamoyl-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)cc1C(N)=O
InChIInChI=1S/C10H11NO3/c1-5-4-8(10(13)14)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyDRBLMBAPAOFNAG-UHFFFAOYSA-N
XLogP1.10
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2,5-dimethylbenzamide
CID 119025196
CID 162313209
CID 162313209
5,12,17,18-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarboxylic acid
CID 163726690
2,5-dimethyl-4-phenylbenzamide
CID 174491618
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
5-chloro-2,4-dimethylbenzamide
CID 82551019
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
4-carbamothioyl-2-methylbenzoic acid
CID 87194457
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
4-(bromomethyl)-2,5-dimethylbenzoic acid
CID 165441298

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-2,5-dimethylbenzoic acid?
The IUPAC name of 4-carbamoyl-2,5-dimethylbenzoic acid (CID 165441285) is 4-carbamoyl-2,5-dimethylbenzoic acid.
What is the SMILES notation for 4-carbamoyl-2,5-dimethylbenzoic acid?
The canonical SMILES for 4-carbamoyl-2,5-dimethylbenzoic acid is Cc1cc(C(=O)O)c(C)cc1C(N)=O.
What is the InChIKey of 4-carbamoyl-2,5-dimethylbenzoic acid?
The InChIKey is DRBLMBAPAOFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-5-4-8(10(13)14)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 4-carbamoyl-2,5-dimethylbenzoic acid?
4-carbamoyl-2,5-dimethylbenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-2,5-dimethylbenzoic acid is sourced from PubChem (CID 165441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).