N-[(3-aminobenzoyl)amino]formamide

C8H9N3O2 — CID 142270401

IUPACN-[(3-aminobenzoyl)amino]formamide
SMILESNc1cccc(C(=O)NNC=O)c1
InChIInChI=1S/C8H9N3O2/c9-7-3-1-2-6(4-7)8(13)11-10-5-12/h1-5H,9H2,(H,10,12)(H,11,13)
InChIKeyBGMFHLPPMQEWKN-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.34
Rot. Bonds3

About N-[(3-aminobenzoyl)amino]formamide

N-[(3-aminobenzoyl)amino]formamide (PubChem CID 142270401) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-[(3-aminobenzoyl)amino]formamide.

Molecular Properties

Compound NameN-[(3-aminobenzoyl)amino]formamide
PubChem CID142270401
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-[(3-aminobenzoyl)amino]formamide
SMILESNc1cccc(C(=O)NNC=O)c1
InChIInChI=1S/C8H9N3O2/c9-7-3-1-2-6(4-7)8(13)11-10-5-12/h1-5H,9H2,(H,10,12)(H,11,13)
InChIKeyBGMFHLPPMQEWKN-UHFFFAOYSA-N
XLogP-0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-propylbenzoyl)amino]formamide
CID 143851334
3-amino-N'-(4-pyridin-4-ylbenzoyl)benzohydrazide
CID 143062088
3-amino-N'-(4-nitrosophenyl)benzohydrazide
CID 5117289
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
(3-aminobenzoyl)azanium
CID 142343873
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 78913286
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
3-aminobenzoic acid;azane
CID 159954068
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminobenzoyl)amino]formamide?
The IUPAC name of N-[(3-aminobenzoyl)amino]formamide (CID 142270401) is N-[(3-aminobenzoyl)amino]formamide.
What is the SMILES notation for N-[(3-aminobenzoyl)amino]formamide?
The canonical SMILES for N-[(3-aminobenzoyl)amino]formamide is Nc1cccc(C(=O)NNC=O)c1.
What is the InChIKey of N-[(3-aminobenzoyl)amino]formamide?
The InChIKey is BGMFHLPPMQEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-7-3-1-2-6(4-7)8(13)11-10-5-12/h1-5H,9H2,(H,10,12)(H,11,13).
What are the key properties of N-[(3-aminobenzoyl)amino]formamide?
N-[(3-aminobenzoyl)amino]formamide has a molecular weight of 179.18 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminobenzoyl)amino]formamide is sourced from PubChem (CID 142270401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).