2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide

C16H16N2O2 — CID 91202265

IUPAC2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide
SMILESNC(=O)c1ccccc1C=CC1C=CC=CC1C(N)=O
InChIInChI=1S/C16H16N2O2/c17-15(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(18)20/h1-11,13H,(H2,17,19)(H2,18,20)
InChIKeyZCGMFDMREUFIRS-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.64
Rot. Bonds4

About 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide

2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide (PubChem CID 91202265) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide.

Molecular Properties

Compound Name2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide
PubChem CID91202265
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide
SMILESNC(=O)c1ccccc1C=CC1C=CC=CC1C(N)=O
InChIInChI=1S/C16H16N2O2/c17-15(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(18)20/h1-11,13H,(H2,17,19)(H2,18,20)
InChIKeyZCGMFDMREUFIRS-UHFFFAOYSA-N
XLogP1.64
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 69287667
2-(2-cyanoethenyl)benzamide
CID 131884772
2-(2,2-dibromoethenyl)benzamide
CID 10470333
2-methanimidoylbenzamide
CID 123272130
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
methyl 4-(2-carbamoylphenyl)but-3-enoate
CID 170501975
2-[(E)-3-chloro-3-oxoprop-1-enyl]benzoyl chloride
CID 131850144
3-(6-aminocyclohexa-2,4-dien-1-yl)-1-phenylprop-2-en-1-one
CID 70580386
benzene;2-hydroxybenzamide
CID 157085280
2-oxaldehydoylbenzamide
CID 146295366
methyl 3-(2-carbamothioylphenyl)prop-2-enoate
CID 169478978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide?
The IUPAC name of 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide (CID 91202265) is 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide.
What is the SMILES notation for 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide?
The canonical SMILES for 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide is NC(=O)c1ccccc1C=CC1C=CC=CC1C(N)=O.
What is the InChIKey of 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide?
The InChIKey is ZCGMFDMREUFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-15(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(18)20/h1-11,13H,(H2,17,19)(H2,18,20).
What are the key properties of 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide?
2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-carbamoylcyclohexa-2,4-dien-1-yl)ethenyl]benzamide is sourced from PubChem (CID 91202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).