N-(3-aminophenyl)acetamide;hydrate;hydrochloride

C8H13ClN2O2 — CID 91872080

IUPACN-(3-aminophenyl)acetamide;hydrate;hydrochloride
SMILESCC(=O)Nc1cccc(N)c1.Cl.O
InChIInChI=1S/C8H10N2O.ClH.H2O/c1-6(11)10-8-4-2-3-7(9)5-8;;/h2-5H,9H2,1H3,(H,10,11);1H;1H2
InChIKeyXREYQQGULXIWST-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.82
Rot. Bonds1

About N-(3-aminophenyl)acetamide;hydrate;hydrochloride

N-(3-aminophenyl)acetamide;hydrate;hydrochloride (PubChem CID 91872080) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is N-(3-aminophenyl)acetamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-(3-aminophenyl)acetamide;hydrate;hydrochloride
PubChem CID91872080
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC NameN-(3-aminophenyl)acetamide;hydrate;hydrochloride
SMILESCC(=O)Nc1cccc(N)c1.Cl.O
InChIInChI=1S/C8H10N2O.ClH.H2O/c1-6(11)10-8-4-2-3-7(9)5-8;;/h2-5H,9H2,1H3,(H,10,11);1H;1H2
InChIKeyXREYQQGULXIWST-UHFFFAOYSA-N
XLogP0.82
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.82
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

N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
CID 160961505
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)acetamide;1,3-benzothiazole
CID 21431079
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-methylphenyl)acetamide
CID 10843
N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide
CID 159801982
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)acetamide;hydrate;hydrochloride?
The IUPAC name of N-(3-aminophenyl)acetamide;hydrate;hydrochloride (CID 91872080) is N-(3-aminophenyl)acetamide;hydrate;hydrochloride.
What is the SMILES notation for N-(3-aminophenyl)acetamide;hydrate;hydrochloride?
The canonical SMILES for N-(3-aminophenyl)acetamide;hydrate;hydrochloride is CC(=O)Nc1cccc(N)c1.Cl.O.
What is the InChIKey of N-(3-aminophenyl)acetamide;hydrate;hydrochloride?
The InChIKey is XREYQQGULXIWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH.H2O/c1-6(11)10-8-4-2-3-7(9)5-8;;/h2-5H,9H2,1H3,(H,10,11);1H;1H2.
What are the key properties of N-(3-aminophenyl)acetamide;hydrate;hydrochloride?
N-(3-aminophenyl)acetamide;hydrate;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)acetamide;hydrate;hydrochloride is sourced from PubChem (CID 91872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).