3-amino-4-anilino-N-cyclopropylbenzamide

C16H17N3O — CID 84819042

IUPAC3-amino-4-anilino-N-cyclopropylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1
InChIInChI=1S/C16H17N3O/c17-14-10-11(16(20)19-13-7-8-13)6-9-15(14)18-12-4-2-1-3-5-12/h1-6,9-10,13,18H,7-8,17H2,(H,19,20)
InChIKeyYLVHBZCKDZAPIY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-4-anilino-N-cyclopropylbenzamide

3-amino-4-anilino-N-cyclopropylbenzamide (PubChem CID 84819042) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-4-anilino-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-amino-4-anilino-N-cyclopropylbenzamide
PubChem CID84819042
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-amino-4-anilino-N-cyclopropylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1
InChIInChI=1S/C16H17N3O/c17-14-10-11(16(20)19-13-7-8-13)6-9-15(14)18-12-4-2-1-3-5-12/h1-6,9-10,13,18H,7-8,17H2,(H,19,20)
InChIKeyYLVHBZCKDZAPIY-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-anilino-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
3-amino-N-cyclopropyl-4-(2-phenylethylamino)benzamide
CID 100622291
4-anilino-N-cyclopropyl-3-(prop-2-enoylamino)benzamide
CID 168801031
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
4-anilino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-nitrobenzamide
CID 25343813
4-benzyl-N-cyclopropylbenzamide
CID 45086871

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-anilino-N-cyclopropylbenzamide?
The IUPAC name of 3-amino-4-anilino-N-cyclopropylbenzamide (CID 84819042) is 3-amino-4-anilino-N-cyclopropylbenzamide.
What is the SMILES notation for 3-amino-4-anilino-N-cyclopropylbenzamide?
The canonical SMILES for 3-amino-4-anilino-N-cyclopropylbenzamide is Nc1cc(C(=O)NC2CC2)ccc1Nc1ccccc1.
What is the InChIKey of 3-amino-4-anilino-N-cyclopropylbenzamide?
The InChIKey is YLVHBZCKDZAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-10-11(16(20)19-13-7-8-13)6-9-15(14)18-12-4-2-1-3-5-12/h1-6,9-10,13,18H,7-8,17H2,(H,19,20).
What are the key properties of 3-amino-4-anilino-N-cyclopropylbenzamide?
3-amino-4-anilino-N-cyclopropylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-anilino-N-cyclopropylbenzamide is sourced from PubChem (CID 84819042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).