N-(2-chloro-4-methylpentyl)-3-propoxybenzamide

C16H24ClNO2 — CID 107157243

IUPACN-(2-chloro-4-methylpentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(Cl)CC(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-4-8-20-15-7-5-6-13(10-15)16(19)18-11-14(17)9-12(2)3/h5-7,10,12,14H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyYKXCNJNYLWKTTG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.86
Rot. Bonds8

About N-(2-chloro-4-methylpentyl)-3-propoxybenzamide

N-(2-chloro-4-methylpentyl)-3-propoxybenzamide (PubChem CID 107157243) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-3-propoxybenzamide
PubChem CID107157243
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(2-chloro-4-methylpentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(Cl)CC(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-4-8-20-15-7-5-6-13(10-15)16(19)18-11-14(17)9-12(2)3/h5-7,10,12,14H,4,8-9,11H2,1-3H3,(H,18,19)
InChIKeyYKXCNJNYLWKTTG-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-3-propoxybenzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-3-propoxybenzamide (CID 107157243) is N-(2-chloro-4-methylpentyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(Cl)CC(C)C)c1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-3-propoxybenzamide?
The InChIKey is YKXCNJNYLWKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-8-20-15-7-5-6-13(10-15)16(19)18-11-14(17)9-12(2)3/h5-7,10,12,14H,4,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylpentyl)-3-propoxybenzamide?
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide has a molecular weight of 297.83 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-3-propoxybenzamide is sourced from PubChem (CID 107157243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).