(Z)-N-chlorooctadec-9-enamide

C18H34ClNO — CID 174372147

IUPAC(Z)-N-chlorooctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCl
InChIInChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17H2,1H3,(H,20,21)/b10-9-
InChIKeyKXFJYXWUIBYFNQ-KTKRTIGZSA-N
MW315.93 g/mol
LogP6.29
Rot. Bonds15

About (Z)-N-chlorooctadec-9-enamide

(Z)-N-chlorooctadec-9-enamide (PubChem CID 174372147) has the molecular formula C18H34ClNO and a molecular weight of 315.93 g/mol. Its IUPAC name is (Z)-N-chlorooctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-chlorooctadec-9-enamide
PubChem CID174372147
Molecular FormulaC18H34ClNO
Molecular Weight315.93 g/mol
Exact Mass315.23
IUPAC Name(Z)-N-chlorooctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCl
InChIInChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17H2,1H3,(H,20,21)/b10-9-
InChIKeyKXFJYXWUIBYFNQ-KTKRTIGZSA-N
XLogP6.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.93
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-chlorodocosanamide
CID 141032944
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
(E)-octadec-9-enehydrazide
CID 6281873
(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-octadec-6-enoyl chloride
CID 87496565
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-heptadec-10-enoyl chloride
CID 14430044
(E)-triacont-15-ene-8,23-dione
CID 11849500
(E)-N-pentadecyloctadec-9-enamide
CID 166963229

Frequently Asked Questions

What is the IUPAC name of (Z)-N-chlorooctadec-9-enamide?
The IUPAC name of (Z)-N-chlorooctadec-9-enamide (CID 174372147) is (Z)-N-chlorooctadec-9-enamide.
What is the SMILES notation for (Z)-N-chlorooctadec-9-enamide?
The canonical SMILES for (Z)-N-chlorooctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCl.
What is the InChIKey of (Z)-N-chlorooctadec-9-enamide?
The InChIKey is KXFJYXWUIBYFNQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h9-10H,2-8,11-17H2,1H3,(H,20,21)/b10-9-.
What are the key properties of (Z)-N-chlorooctadec-9-enamide?
(Z)-N-chlorooctadec-9-enamide has a molecular weight of 315.93 g/mol, XLogP of 6.29, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-chlorooctadec-9-enamide is sourced from PubChem (CID 174372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).