2-amino-N-cyclopropylbenzamide

C10H12N2O — CID 2060007

IUPAC2-amino-N-cyclopropylbenzamide
SMILESNc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13)
InChIKeyYGCVNEQVUUMKJL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.16
Rot. Bonds2

About 2-amino-N-cyclopropylbenzamide

2-amino-N-cyclopropylbenzamide (PubChem CID 2060007) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropylbenzamide
PubChem CID2060007
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-N-cyclopropylbenzamide
SMILESNc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13)
InChIKeyYGCVNEQVUUMKJL-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 2-amino-N-cyclopropylbenzamide?
The IUPAC name of 2-amino-N-cyclopropylbenzamide (CID 2060007) is 2-amino-N-cyclopropylbenzamide.
What is the SMILES notation for 2-amino-N-cyclopropylbenzamide?
The canonical SMILES for 2-amino-N-cyclopropylbenzamide is Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-amino-N-cyclopropylbenzamide?
The InChIKey is YGCVNEQVUUMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13).
What are the key properties of 2-amino-N-cyclopropylbenzamide?
2-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 2-amino-N-cyclopropylbenzamide is sourced from PubChem (CID 2060007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).