N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide

C16H24ClNO2 — CID 107157094

IUPACN-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-20-14-9-7-6-8-13(14)15(19)18-11-12(17)10-16(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyPBPPVAREXZIEAJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.86
Rot. Bonds6

About N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide

N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide (PubChem CID 107157094) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
PubChem CID107157094
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-20-14-9-7-6-8-13(14)15(19)18-11-12(17)10-16(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyPBPPVAREXZIEAJ-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
N-[(2S)-3,3-dimethyl-2-methylsulfanylbutyl]-2-ethoxybenzamide
CID 97350853
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
CID 114306598
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide (CID 107157094) is N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(Cl)CC(C)(C)C.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide?
The InChIKey is PBPPVAREXZIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-20-14-9-7-6-8-13(14)15(19)18-11-12(17)10-16(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide?
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide has a molecular weight of 297.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide is sourced from PubChem (CID 107157094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).