N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride

C10H14ClN3O2 — CID 17385562

IUPACN-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(C)=O)c(N)c1.Cl
InChIInChI=1S/C10H13N3O2.ClH/c1-6(14)12-8-3-4-10(9(11)5-8)13-7(2)15;/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15);1H
InChIKeyPXSBVJMWFAUBOZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.61
Rot. Bonds2

About N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride

N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride (PubChem CID 17385562) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
PubChem CID17385562
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(C)=O)c(N)c1.Cl
InChIInChI=1S/C10H13N3O2.ClH/c1-6(14)12-8-3-4-10(9(11)5-8)13-7(2)15;/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15);1H
InChIKeyPXSBVJMWFAUBOZ-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(5-amino-2,4-dibromophenyl)acetamide
CID 14144188
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997
propan-2-yl N-[3-amino-4-(methoxycarbonylamino)phenyl]carbamate
CID 21482981
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
CID 70625641
ethyl 4-acetamido-2-aminobenzoate
CID 19006952
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride (CID 17385562) is N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride is CC(=O)Nc1ccc(NC(C)=O)c(N)c1.Cl.
What is the InChIKey of N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride?
The InChIKey is PXSBVJMWFAUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.ClH/c1-6(14)12-8-3-4-10(9(11)5-8)13-7(2)15;/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15);1H.
What are the key properties of N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride?
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride is sourced from PubChem (CID 17385562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).