N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide

C10H11ClN4O — CID 146217343

IUPACN-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
SMILES[H]/N=C(\N)N(/N=C/c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C10H11ClN4O/c1-7(16)15(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H3,12,13)/b14-6+
InChIKeyHGBHBPKNDMXNKL-MKMNVTDBSA-N
MW238.68 g/mol
LogP1.42
Rot. Bonds2

About N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide

N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 146217343) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
PubChem CID146217343
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
SMILES[H]/N=C(\N)N(/N=C/c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C10H11ClN4O/c1-7(16)15(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H3,12,13)/b14-6+
InChIKeyHGBHBPKNDMXNKL-MKMNVTDBSA-N
XLogP1.42
TPSA82.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.42
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-[(E)-(4-chlorophenyl)methylideneamino]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)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide
CID 146217354
N-carbamimidoyl-N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 146217334
N-carbamimidoyl-N-(4-chlorophenoxy)acetamide
CID 87873509
N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
CID 54507813
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
1-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1-methylguanidine;hydrochloride
CID 54609978
N-tert-butyl-3,5-dichloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
CID 134104323
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
1-carbamimidoyl-3-phenyl-1-(propan-2-ylideneamino)urea
CID 87676590
1-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
CID 10108132
1-carbamimidoyl-2-(4-chlorophenyl)-1-propan-2-ylguanidine
CID 71366976

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide (CID 146217343) is N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide is [H]/N=C(\N)N(/N=C/c1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is HGBHBPKNDMXNKL-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7(16)15(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H3,12,13)/b14-6+.
What are the key properties of N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide has a molecular weight of 238.68 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 146217343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).