N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

C18H16N2O4 — CID 26905962

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O4/c21-17(11-5-8-15-16(9-11)24-10-23-15)20-14-4-2-1-3-13(14)18(22)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,19,22)(H,20,21)
InChIKeyAWLQGNIQMQOROJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 26905962) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID26905962
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O4/c21-17(11-5-8-15-16(9-11)24-10-23-15)20-14-4-2-1-3-13(14)18(22)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,19,22)(H,20,21)
InChIKeyAWLQGNIQMQOROJ-UHFFFAOYSA-N
XLogP2.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 26905962) is N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is AWLQGNIQMQOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(11-5-8-15-16(9-11)24-10-23-15)20-14-4-2-1-3-13(14)18(22)19-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 26905962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).