3-amino-N-cyclopropylbenzamide

C10H12N2O — CID 7064053

IUPAC3-amino-N-cyclopropylbenzamide
SMILESNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)
InChIKeyXTQFXSVIFJUEAP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.16
Rot. Bonds2

About 3-amino-N-cyclopropylbenzamide

3-amino-N-cyclopropylbenzamide (PubChem CID 7064053) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropylbenzamide
PubChem CID7064053
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-amino-N-cyclopropylbenzamide
SMILESNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)
InChIKeyXTQFXSVIFJUEAP-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropylbenzamide?
The IUPAC name of 3-amino-N-cyclopropylbenzamide (CID 7064053) is 3-amino-N-cyclopropylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopropylbenzamide?
The canonical SMILES for 3-amino-N-cyclopropylbenzamide is Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-amino-N-cyclopropylbenzamide?
The InChIKey is XTQFXSVIFJUEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13).
What are the key properties of 3-amino-N-cyclopropylbenzamide?
3-amino-N-cyclopropylbenzamide has a molecular weight of 176.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropylbenzamide is sourced from PubChem (CID 7064053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).