N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide

C15H14ClN3O — CID 161370538

IUPACN-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide
SMILESC/N=C(\NC=O)c1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-17-15(18-10-20)13-8-7-11(16)9-14(13)19-12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18,20)
InChIKeyVQKBWKPXWZBUGV-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.21
Rot. Bonds4

About N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide

N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide (PubChem CID 161370538) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide.

Molecular Properties

Compound NameN-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide
PubChem CID161370538
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide
SMILESC/N=C(\NC=O)c1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C15H14ClN3O/c1-17-15(18-10-20)13-8-7-11(16)9-14(13)19-12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18,20)
InChIKeyVQKBWKPXWZBUGV-UHFFFAOYSA-N
XLogP3.21
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide?
The IUPAC name of N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide (CID 161370538) is N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide.
What is the SMILES notation for N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide?
The canonical SMILES for N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide is C/N=C(\NC=O)c1ccc(Cl)cc1Nc1ccccc1.
What is the InChIKey of N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide?
The InChIKey is VQKBWKPXWZBUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-17-15(18-10-20)13-8-7-11(16)9-14(13)19-12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18,20).
What are the key properties of N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide?
N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide has a molecular weight of 287.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(2-anilino-4-chlorophenyl)-N-methylcarbonimidoyl]formamide is sourced from PubChem (CID 161370538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).