N-[(3-aminophenyl)carbamoyl]acetamide

C9H11N3O2 — CID 86767324

IUPACN-[(3-aminophenyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H11N3O2/c1-6(13)11-9(14)12-8-4-2-3-7(10)5-8/h2-5H,10H2,1H3,(H2,11,12,13,14)
InChIKeyWFUJNLNMXVFFLN-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.94
Rot. Bonds1

About N-[(3-aminophenyl)carbamoyl]acetamide

N-[(3-aminophenyl)carbamoyl]acetamide (PubChem CID 86767324) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[(3-aminophenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)carbamoyl]acetamide
PubChem CID86767324
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-[(3-aminophenyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H11N3O2/c1-6(13)11-9(14)12-8-4-2-3-7(10)5-8/h2-5H,10H2,1H3,(H2,11,12,13,14)
InChIKeyWFUJNLNMXVFFLN-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
CID 160961505
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)carbamoyl]acetamide?
The IUPAC name of N-[(3-aminophenyl)carbamoyl]acetamide (CID 86767324) is N-[(3-aminophenyl)carbamoyl]acetamide.
What is the SMILES notation for N-[(3-aminophenyl)carbamoyl]acetamide?
The canonical SMILES for N-[(3-aminophenyl)carbamoyl]acetamide is CC(=O)NC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)carbamoyl]acetamide?
The InChIKey is WFUJNLNMXVFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(13)11-9(14)12-8-4-2-3-7(10)5-8/h2-5H,10H2,1H3,(H2,11,12,13,14).
What are the key properties of N-[(3-aminophenyl)carbamoyl]acetamide?
N-[(3-aminophenyl)carbamoyl]acetamide has a molecular weight of 193.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)carbamoyl]acetamide is sourced from PubChem (CID 86767324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).