N-(4-carbamimidoylphenyl)acetamide;hydrochloride

C9H12ClN3O — CID 171776366

IUPACN-(4-carbamimidoylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H11N3O.ClH/c1-6(13)12-8-4-2-7(3-5-8)9(10)11;/h2-5H,1H3,(H3,10,11)(H,12,13);1H
InChIKeyIQTQRKFMMHHBHT-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.35
Rot. Bonds2

About N-(4-carbamimidoylphenyl)acetamide;hydrochloride

N-(4-carbamimidoylphenyl)acetamide;hydrochloride (PubChem CID 171776366) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)acetamide;hydrochloride
PubChem CID171776366
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC NameN-(4-carbamimidoylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H11N3O.ClH/c1-6(13)12-8-4-2-7(3-5-8)9(10)11;/h2-5H,1H3,(H3,10,11)(H,12,13);1H
InChIKeyIQTQRKFMMHHBHT-UHFFFAOYSA-N
XLogP1.35
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-carbamimidoylphenyl)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,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
CID 2014
N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441
5-acetamido-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid
CID 22626009
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-ethanimidoylbenzenecarboximidamide
CID 148687988
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
4-(sulfamoylamino)benzenecarboximidamide
CID 114959670

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(4-carbamimidoylphenyl)acetamide;hydrochloride (CID 171776366) is N-(4-carbamimidoylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-carbamimidoylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(4-carbamimidoylphenyl)acetamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)acetamide;hydrochloride?
The InChIKey is IQTQRKFMMHHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.ClH/c1-6(13)12-8-4-2-7(3-5-8)9(10)11;/h2-5H,1H3,(H3,10,11)(H,12,13);1H.
What are the key properties of N-(4-carbamimidoylphenyl)acetamide;hydrochloride?
N-(4-carbamimidoylphenyl)acetamide;hydrochloride has a molecular weight of 213.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 171776366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).