3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide

C17H19N3O — CID 100623628

IUPAC3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
SMILESCc1ccccc1Nc1ccc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C17H19N3O/c1-11-4-2-3-5-15(11)20-16-9-6-12(10-14(16)18)17(21)19-13-7-8-13/h2-6,9-10,13,20H,7-8,18H2,1H3,(H,19,21)
InChIKeyLBOYMIZABADNAB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide

3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide (PubChem CID 100623628) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
PubChem CID100623628
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
SMILESCc1ccccc1Nc1ccc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C17H19N3O/c1-11-4-2-3-5-15(11)20-16-9-6-12(10-14(16)18)17(21)19-13-7-8-13/h2-6,9-10,13,20H,7-8,18H2,1H3,(H,19,21)
InChIKeyLBOYMIZABADNAB-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
3-amino-N-cyclopropyl-4-(2-phenylethylamino)benzamide
CID 100622291
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-amino-4-(2-fluoro-3-methylanilino)benzoic acid
CID 114254947
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide (CID 100623628) is 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide is Cc1ccccc1Nc1ccc(C(=O)NC2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide?
The InChIKey is LBOYMIZABADNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-2-3-5-15(11)20-16-9-6-12(10-14(16)18)17(21)19-13-7-8-13/h2-6,9-10,13,20H,7-8,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide?
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide is sourced from PubChem (CID 100623628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).