4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide

C17H15ClN2O2 — CID 6899373

IUPAC4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-7-3-2-5-13(16)6-4-12-19-20-17(21)14-8-10-15(18)11-9-14/h2-12H,1H3,(H,20,21)/b6-4+,19-12+
InChIKeyDBECUPDSUNNPPC-RGRGLRPZSA-N
MW314.77 g/mol
LogP3.78
Rot. Bonds5

About 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide

4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide (PubChem CID 6899373) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
PubChem CID6899373
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-7-3-2-5-13(16)6-4-12-19-20-17(21)14-8-10-15(18)11-9-14/h2-12H,1H3,(H,20,21)/b6-4+,19-12+
InChIKeyDBECUPDSUNNPPC-RGRGLRPZSA-N
XLogP3.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
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

N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466068
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
CID 136846390
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
[3-(2-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 57221575
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-methylthiourea
CID 9071920
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-(4-fluorophenyl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6869495
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
CID 3753658
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide (CID 6899373) is 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide is COc1ccccc1/C=C/C=N/NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide?
The InChIKey is DBECUPDSUNNPPC-RGRGLRPZSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-16-7-3-2-5-13(16)6-4-12-19-20-17(21)14-8-10-15(18)11-9-14/h2-12H,1H3,(H,20,21)/b6-4+,19-12+.
What are the key properties of 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide?
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide has a molecular weight of 314.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide is sourced from PubChem (CID 6899373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).