N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide

C13H16ClNO2 — CID 132547490

IUPACN-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C=C\CCCCl)cc1
InChIInChI=1S/C13H16ClNO2/c1-17-12-7-5-11(6-8-12)13(16)15-10-4-2-3-9-14/h4-8,10H,2-3,9H2,1H3,(H,15,16)/b10-4-
InChIKeyOZHBZPJLTVQXQP-WMZJFQQLSA-N
MW253.73 g/mol
LogP2.96
Rot. Bonds6

About N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide

N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide (PubChem CID 132547490) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
PubChem CID132547490
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/C=C\CCCCl)cc1
InChIInChI=1S/C13H16ClNO2/c1-17-12-7-5-11(6-8-12)13(16)15-10-4-2-3-9-14/h4-8,10H,2-3,9H2,1H3,(H,15,16)/b10-4-
InChIKeyOZHBZPJLTVQXQP-WMZJFQQLSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
N-formyl-4-methoxybenzamide
CID 10856056
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
N-[(E)-dec-1-enyl]benzamide
CID 71501503
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-pentylbenzamide
CID 3113360
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
4-methoxy-N-nonylbenzamide
CID 3557385

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide (CID 132547490) is N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide is COc1ccc(C(=O)N/C=C\CCCCl)cc1.
What is the InChIKey of N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide?
The InChIKey is OZHBZPJLTVQXQP-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-7-5-11(6-8-12)13(16)15-10-4-2-3-9-14/h4-8,10H,2-3,9H2,1H3,(H,15,16)/b10-4-.
What are the key properties of N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide?
N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide has a molecular weight of 253.73 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide is sourced from PubChem (CID 132547490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).