N-[2-(chloromethyl)hexyl]benzamide

C14H20ClNO — CID 158045378

IUPACN-[2-(chloromethyl)hexyl]benzamide
SMILESCCCCC(CCl)CNC(=O)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-2-3-7-12(10-15)11-16-14(17)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,16,17)
InChIKeyUFJWJEYZROZSIH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(chloromethyl)hexyl]benzamide

N-[2-(chloromethyl)hexyl]benzamide (PubChem CID 158045378) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)hexyl]benzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)hexyl]benzamide
PubChem CID158045378
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(chloromethyl)hexyl]benzamide
SMILESCCCCC(CCl)CNC(=O)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-2-3-7-12(10-15)11-16-14(17)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,16,17)
InChIKeyUFJWJEYZROZSIH-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-(2-phenylhexyl)benzamide
CID 59942443
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-(1-chloropentyl)benzamide
CID 154358932
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 133239632
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)hexyl]benzamide?
The IUPAC name of N-[2-(chloromethyl)hexyl]benzamide (CID 158045378) is N-[2-(chloromethyl)hexyl]benzamide.
What is the SMILES notation for N-[2-(chloromethyl)hexyl]benzamide?
The canonical SMILES for N-[2-(chloromethyl)hexyl]benzamide is CCCCC(CCl)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(chloromethyl)hexyl]benzamide?
The InChIKey is UFJWJEYZROZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-7-12(10-15)11-16-14(17)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)hexyl]benzamide?
N-[2-(chloromethyl)hexyl]benzamide has a molecular weight of 253.77 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)hexyl]benzamide is sourced from PubChem (CID 158045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).