3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid

C15H15NO4 — CID 63112090

IUPAC3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccc(C)o2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-8-6-9(2)13(11(7-8)15(18)19)16-14(17)12-5-4-10(3)20-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyNEOFDIAZHRNGPC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.16
Rot. Bonds3

About 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid

3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid (PubChem CID 63112090) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
PubChem CID63112090
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccc(C)o2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-8-6-9(2)13(11(7-8)15(18)19)16-14(17)12-5-4-10(3)20-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyNEOFDIAZHRNGPC-UHFFFAOYSA-N
XLogP3.16
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 82831071
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
3-iodo-5-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 113352902
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(2-amino-4,5-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 62098426

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid (CID 63112090) is 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid is Cc1cc(C)c(NC(=O)c2ccc(C)o2)c(C(=O)O)c1.
What is the InChIKey of 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The InChIKey is NEOFDIAZHRNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8-6-9(2)13(11(7-8)15(18)19)16-14(17)12-5-4-10(3)20-12/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63112090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).