N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide

C15H22ClNO2 — CID 106117686

IUPACN-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22ClNO2/c1-3-4-12(9-10-16)11-17-15(18)13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyQIXIPXJZSHEUFD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide

N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide (PubChem CID 106117686) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
PubChem CID106117686
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22ClNO2/c1-3-4-12(9-10-16)11-17-15(18)13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyQIXIPXJZSHEUFD-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
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-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide (CID 106117686) is N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide is CCCC(CCCl)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide?
The InChIKey is QIXIPXJZSHEUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-4-12(9-10-16)11-17-15(18)13-5-7-14(19-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide?
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide is sourced from PubChem (CID 106117686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).