N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C19H19N3O4 — CID 119618699

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cc3c(cc2N)OCO3)c1
InChIInChI=1S/C19H19N3O4/c1-10-5-13(10)19(24)21-12-4-2-3-11(6-12)18(23)22-15-8-17-16(7-14(15)20)25-9-26-17/h2-4,6-8,10,13H,5,9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyRBTVOFQAVZHKDW-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.84
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 119618699) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID119618699
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cc3c(cc2N)OCO3)c1
InChIInChI=1S/C19H19N3O4/c1-10-5-13(10)19(24)21-12-4-2-3-11(6-12)18(23)22-15-8-17-16(7-14(15)20)25-9-26-17/h2-4,6-8,10,13H,5,9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyRBTVOFQAVZHKDW-UHFFFAOYSA-N
XLogP2.84
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 119618699) is N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)Nc2cc3c(cc2N)OCO3)c1.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is RBTVOFQAVZHKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-5-13(10)19(24)21-12-4-2-3-11(6-12)18(23)22-15-8-17-16(7-14(15)20)25-9-26-17/h2-4,6-8,10,13H,5,9,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 119618699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).