2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide

C20H16ClN3O — CID 129398081

IUPAC2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide
SMILESC/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C20H16ClN3O/c1-14(19-13-22-9-10-23-19)11-15-5-4-6-16(12-15)24-20(25)17-7-2-3-8-18(17)21/h2-13H,1H3,(H,24,25)/b14-11+
InChIKeyBBQIFENEFAFEEL-SDNWHVSQSA-N
MW349.82 g/mol
LogP4.94
Rot. Bonds4

About 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide

2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide (PubChem CID 129398081) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide
PubChem CID129398081
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide
SMILESC/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C20H16ClN3O/c1-14(19-13-22-9-10-23-19)11-15-5-4-6-16(12-15)24-20(25)17-7-2-3-8-18(17)21/h2-13H,1H3,(H,24,25)/b14-11+
InChIKeyBBQIFENEFAFEEL-SDNWHVSQSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-[3-[(E)-3-oxo-3-(1,3-thiazol-4-yl)prop-1-enyl]phenyl]benzamide
CID 167818667
N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
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N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
2-chloro-N-[3-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenyl]benzamide
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N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
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N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
CID 154220951
2-chloro-N-[3-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]phenyl]benzamide
CID 9212252
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide (CID 129398081) is 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide is C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnccn1.
What is the InChIKey of 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide?
The InChIKey is BBQIFENEFAFEEL-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-14(19-13-22-9-10-23-19)11-15-5-4-6-16(12-15)24-20(25)17-7-2-3-8-18(17)21/h2-13H,1H3,(H,24,25)/b14-11+.
What are the key properties of 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide?
2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide is sourced from PubChem (CID 129398081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).