5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide

C15H16ClNO2 — CID 144671762

IUPAC5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide
SMILESC=C/C=C(\C=C)C(C)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClNO2/c1-4-6-11(5-2)10(3)17-15(19)13-9-12(16)7-8-14(13)18/h4-10,18H,1-2H2,3H3,(H,17,19)/b11-6+
InChIKeyKDBPCYUSYVKDFL-IZZDOVSWSA-N
MW277.75 g/mol
LogP3.46
Rot. Bonds5

About 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide

5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide (PubChem CID 144671762) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide
PubChem CID144671762
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide
SMILESC=C/C=C(\C=C)C(C)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClNO2/c1-4-6-11(5-2)10(3)17-15(19)13-9-12(16)7-8-14(13)18/h4-10,18H,1-2H2,3H3,(H,17,19)/b11-6+
InChIKeyKDBPCYUSYVKDFL-IZZDOVSWSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide (CID 144671762) is 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide is C=C/C=C(\C=C)C(C)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide?
The InChIKey is KDBPCYUSYVKDFL-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-4-6-11(5-2)10(3)17-15(19)13-9-12(16)7-8-14(13)18/h4-10,18H,1-2H2,3H3,(H,17,19)/b11-6+.
What are the key properties of 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide?
5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide has a molecular weight of 277.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 144671762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).