N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide

C16H14N2O4 — CID 23992808

IUPACN-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O4/c1-9-2-3-10(15(17)19)6-12(9)18-16(20)11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyNYIGOKGUKJAIMQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.07
Rot. Bonds3

About N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide

N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 23992808) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID23992808
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O4/c1-9-2-3-10(15(17)19)6-12(9)18-16(20)11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyNYIGOKGUKJAIMQ-UHFFFAOYSA-N
XLogP2.07
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 103274651
7-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 43063185
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide (CID 23992808) is N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide is Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is NYIGOKGUKJAIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-2-3-10(15(17)19)6-12(9)18-16(20)11-4-5-13-14(7-11)22-8-21-13/h2-7H,8H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 23992808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).