N-chloro-N-(2-ethylhexyl)benzamide

C15H22ClNO — CID 150667226

IUPACN-chloro-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-3-5-9-13(4-2)12-17(16)15(18)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyJFCXWKACJBZPGZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.50
Rot. Bonds7

About N-chloro-N-(2-ethylhexyl)benzamide

N-chloro-N-(2-ethylhexyl)benzamide (PubChem CID 150667226) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-chloro-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound NameN-chloro-N-(2-ethylhexyl)benzamide
PubChem CID150667226
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-chloro-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-3-5-9-13(4-2)12-17(16)15(18)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKeyJFCXWKACJBZPGZ-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;2-ethyl-N,N-dimethylhexan-1-amine
CID 175078681
4-ethyl-1-phenyloctan-1-one
CID 63399594
2-benzhydrylidene-4-ethyloctanoic acid
CID 57302875
4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
CID 91728276
N-[2-(chloromethyl)hexyl]benzamide
CID 158045378
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
benzoic acid;2-ethylhexyl benzoate
CID 90214866
N-(1-chlorohexadecyl)-N-methylbenzamide
CID 174612781
3-chloro-1-phenylheptan-1-one
CID 11775823
diphenylmethanone;3-methylheptane
CID 174880774
4-ethyl-2-[methoxy(phenyl)methylidene]octanoic acid
CID 150249445
5-ethylnon-2-en-2-ylbenzene
CID 139888186

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(2-ethylhexyl)benzamide?
The IUPAC name of N-chloro-N-(2-ethylhexyl)benzamide (CID 150667226) is N-chloro-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for N-chloro-N-(2-ethylhexyl)benzamide?
The canonical SMILES for N-chloro-N-(2-ethylhexyl)benzamide is CCCCC(CC)CN(Cl)C(=O)c1ccccc1.
What is the InChIKey of N-chloro-N-(2-ethylhexyl)benzamide?
The InChIKey is JFCXWKACJBZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-5-9-13(4-2)12-17(16)15(18)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3.
What are the key properties of N-chloro-N-(2-ethylhexyl)benzamide?
N-chloro-N-(2-ethylhexyl)benzamide has a molecular weight of 267.80 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 150667226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).