3-aminobenzamide

C7H8N2O — CID 1645

IUPAC3-aminobenzamide
SMILESNC(=O)c1cccc(N)c1
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKeyGSCPDZHWVNUUFI-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.37
Rot. Bonds1

About 3-aminobenzamide

3-aminobenzamide (PubChem CID 1645) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-aminobenzamide.

Molecular Properties

Compound Name3-aminobenzamide
PubChem CID1645
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-aminobenzamide
SMILESNC(=O)c1cccc(N)c1
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKeyGSCPDZHWVNUUFI-UHFFFAOYSA-N
XLogP0.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Anthranilamide
CID 6942
p-Aminopropiophenone
CID 6270
Iniparib
CID 9796068
4-Aminobenzamide
CID 76079
p-Aminoacetophenone
CID 7468
4-Aminobenzoic acid hydrazide
CID 21450
3'-Aminoacetophenone
CID 7417
4-Aminobenzaldehyde
CID 11158
3-Nitrobenzamide
CID 12576
2'-Phenylbenzohydrazide
CID 10774
3-Nitrosobenzamide
CID 1679
3-Amino-4-methylbenzamide
CID 88043

Frequently Asked Questions

What is the IUPAC name of 3-aminobenzamide?
The IUPAC name of 3-aminobenzamide (CID 1645) is 3-aminobenzamide.
What is the SMILES notation for 3-aminobenzamide?
The canonical SMILES for 3-aminobenzamide is NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-aminobenzamide?
The InChIKey is GSCPDZHWVNUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10).
What are the key properties of 3-aminobenzamide?
3-aminobenzamide has a molecular weight of 136.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzamide is sourced from PubChem (CID 1645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).