4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide

C13H16ClNO2 — CID 113236443

IUPAC4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H16ClNO2/c1-3-4-5-8-15-13(16)11-7-6-10(14)9-12(11)17-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16)/b4-3+
InChIKeyFGYGKZCIQMLODB-ONEGZZNKSA-N
MW253.73 g/mol
LogP3.04
Rot. Bonds5

About 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide

4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide (PubChem CID 113236443) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
PubChem CID113236443
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H16ClNO2/c1-3-4-5-8-15-13(16)11-7-6-10(14)9-12(11)17-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16)/b4-3+
InChIKeyFGYGKZCIQMLODB-ONEGZZNKSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
2-[2-[(4-chloro-2-methoxybenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242206
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide (CID 113236443) is 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide is C/C=C/CCNC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide?
The InChIKey is FGYGKZCIQMLODB-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-3-4-5-8-15-13(16)11-7-6-10(14)9-12(11)17-2/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16)/b4-3+.
What are the key properties of 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide?
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide has a molecular weight of 253.73 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide is sourced from PubChem (CID 113236443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).