N-(1-chlorohexadecyl)-N-methylbenzamide

C24H40ClNO — CID 174612781

IUPACN-(1-chlorohexadecyl)-N-methylbenzamide
SMILESCCCCCCCCCCCCCCCC(Cl)N(C)C(=O)c1ccccc1
InChIInChI=1S/C24H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)26(2)24(27)22-19-16-15-17-20-22/h15-17,19-20,23H,3-14,18,21H2,1-2H3
InChIKeyWUTATVISSYPFOV-UHFFFAOYSA-N
MW394.04 g/mol
LogP7.80
Rot. Bonds16

About N-(1-chlorohexadecyl)-N-methylbenzamide

N-(1-chlorohexadecyl)-N-methylbenzamide (PubChem CID 174612781) has the molecular formula C24H40ClNO and a molecular weight of 394.04 g/mol. Its IUPAC name is N-(1-chlorohexadecyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-chlorohexadecyl)-N-methylbenzamide
PubChem CID174612781
Molecular FormulaC24H40ClNO
Molecular Weight394.04 g/mol
Exact Mass393.28
IUPAC NameN-(1-chlorohexadecyl)-N-methylbenzamide
SMILESCCCCCCCCCCCCCCCC(Cl)N(C)C(=O)c1ccccc1
InChIInChI=1S/C24H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)26(2)24(27)22-19-16-15-17-20-22/h15-17,19-20,23H,3-14,18,21H2,1-2H3
InChIKeyWUTATVISSYPFOV-UHFFFAOYSA-N
XLogP7.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.04
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22934266
N-benzoylbenzohydrazide;2-nonylpropanedioic acid
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2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
1-hydroxydecyl benzoate
CID 54112556
2-pentyl-1-phenylheptan-1-one
CID 67882345
3-amino-1-phenyloctadecan-1-one
CID 54040118
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
[2-[benzoyl(methyl)amino]-4,4,4-trifluoro-3-oxobutanoyl]-tributylphosphanium
CID 132541801
N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
CID 67772910
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorohexadecyl)-N-methylbenzamide?
The IUPAC name of N-(1-chlorohexadecyl)-N-methylbenzamide (CID 174612781) is N-(1-chlorohexadecyl)-N-methylbenzamide.
What is the SMILES notation for N-(1-chlorohexadecyl)-N-methylbenzamide?
The canonical SMILES for N-(1-chlorohexadecyl)-N-methylbenzamide is CCCCCCCCCCCCCCCC(Cl)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-(1-chlorohexadecyl)-N-methylbenzamide?
The InChIKey is WUTATVISSYPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40ClNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)26(2)24(27)22-19-16-15-17-20-22/h15-17,19-20,23H,3-14,18,21H2,1-2H3.
What are the key properties of N-(1-chlorohexadecyl)-N-methylbenzamide?
N-(1-chlorohexadecyl)-N-methylbenzamide has a molecular weight of 394.04 g/mol, XLogP of 7.80, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorohexadecyl)-N-methylbenzamide is sourced from PubChem (CID 174612781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).