2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline

C16H18ClN3 — CID 58987816

IUPAC2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
SMILESCC/C(=N\Nc1ccccc1)c1cc(Cl)ccc1NC
InChIInChI=1S/C16H18ClN3/c1-3-15(20-19-13-7-5-4-6-8-13)14-11-12(17)9-10-16(14)18-2/h4-11,18-19H,3H2,1-2H3/b20-15+
InChIKeyGESMLWZXIVCJFO-HMMYKYKNSA-N
MW287.79 g/mol
LogP4.61
Rot. Bonds5

About 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline

2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline (PubChem CID 58987816) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline.

Molecular Properties

Compound Name2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
PubChem CID58987816
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
SMILESCC/C(=N\Nc1ccccc1)c1cc(Cl)ccc1NC
InChIInChI=1S/C16H18ClN3/c1-3-15(20-19-13-7-5-4-6-8-13)14-11-12(17)9-10-16(14)18-2/h4-11,18-19H,3H2,1-2H3/b20-15+
InChIKeyGESMLWZXIVCJFO-HMMYKYKNSA-N
XLogP4.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline
CID 89326976
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide
CID 90837915
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
4-chloro-2-[N-(2-chloroethyl)-C-phenylcarbonimidoyl]-N-methylaniline
CID 154269566
4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline
CID 10220810
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
4-chloro-2-[C-(2-chlorophenyl)-N-diethoxyboranylcarbonimidoyl]-N-methylaniline
CID 54457211

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline?
The IUPAC name of 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline (CID 58987816) is 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline.
What is the SMILES notation for 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline?
The canonical SMILES for 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline is CC/C(=N\Nc1ccccc1)c1cc(Cl)ccc1NC.
What is the InChIKey of 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline?
The InChIKey is GESMLWZXIVCJFO-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-3-15(20-19-13-7-5-4-6-8-13)14-11-12(17)9-10-16(14)18-2/h4-11,18-19H,3H2,1-2H3/b20-15+.
What are the key properties of 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline?
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline has a molecular weight of 287.79 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline is sourced from PubChem (CID 58987816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).