N-carbamimidoyl-N-(4-chlorophenoxy)acetamide

C9H10ClN3O2 — CID 87873509

IUPACN-carbamimidoyl-N-(4-chlorophenoxy)acetamide
SMILES[H]/N=C(\N)N(Oc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C9H10ClN3O2/c1-6(14)13(9(11)12)15-8-4-2-7(10)3-5-8/h2-5H,1H3,(H3,11,12)
InChIKeyFBSDXBFBOVJDCL-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.38
Rot. Bonds2

About N-carbamimidoyl-N-(4-chlorophenoxy)acetamide

N-carbamimidoyl-N-(4-chlorophenoxy)acetamide (PubChem CID 87873509) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is N-carbamimidoyl-N-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-(4-chlorophenoxy)acetamide
PubChem CID87873509
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC NameN-carbamimidoyl-N-(4-chlorophenoxy)acetamide
SMILES[H]/N=C(\N)N(Oc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C9H10ClN3O2/c1-6(14)13(9(11)12)15-8-4-2-7(10)3-5-8/h2-5H,1H3,(H3,11,12)
InChIKeyFBSDXBFBOVJDCL-UHFFFAOYSA-N
XLogP1.38
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-carbamimidoyl-N-(4-chlorophenoxy)acetamide 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-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 146217343
N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
CID 21413966
2-carbamimidoyl-1,1-dimethylguanidine;(4-chlorophenyl) ethaneperoxoate
CID 176528711
(4-chlorophenyl) acetate
CID 13410
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine
CID 24839284
1-(4-chlorophenyl)-1-phenylguanidine
CID 138104266
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
1-carbamimidoyl-1-[3-[carbamimidoyl-[(4-chlorophenyl)carbamoyl]amino]propyl]-3-(4-chlorophenyl)urea
CID 163668596
N-[4-[carbamimidoyl-[(Z)-N'-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamimidoyl]sulfamoyl]phenyl]acetamide
CID 20844965
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
1-carbamimidoyl-2-(4-chlorophenyl)-1-propan-2-ylguanidine
CID 71366976
5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid
CID 20566407

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-(4-chlorophenoxy)acetamide?
The IUPAC name of N-carbamimidoyl-N-(4-chlorophenoxy)acetamide (CID 87873509) is N-carbamimidoyl-N-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-carbamimidoyl-N-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-carbamimidoyl-N-(4-chlorophenoxy)acetamide is [H]/N=C(\N)N(Oc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-carbamimidoyl-N-(4-chlorophenoxy)acetamide?
The InChIKey is FBSDXBFBOVJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-6(14)13(9(11)12)15-8-4-2-7(10)3-5-8/h2-5H,1H3,(H3,11,12).
What are the key properties of N-carbamimidoyl-N-(4-chlorophenoxy)acetamide?
N-carbamimidoyl-N-(4-chlorophenoxy)acetamide has a molecular weight of 227.65 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 87873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).