N-(4-chloropentyl)-2,4-dimethoxybenzamide

C14H20ClNO3 — CID 106129758

IUPACN-(4-chloropentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-10(15)5-4-8-16-14(17)12-7-6-11(18-2)9-13(12)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMRWJCVYFGMIMRM-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.84
Rot. Bonds7

About N-(4-chloropentyl)-2,4-dimethoxybenzamide

N-(4-chloropentyl)-2,4-dimethoxybenzamide (PubChem CID 106129758) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloropentyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2,4-dimethoxybenzamide
PubChem CID106129758
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloropentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-10(15)5-4-8-16-14(17)12-7-6-11(18-2)9-13(12)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMRWJCVYFGMIMRM-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4-chloropentyl)-2,4-dimethoxybenzamide (CID 106129758) is N-(4-chloropentyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-chloropentyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4-chloropentyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCC(C)Cl)c(OC)c1.
What is the InChIKey of N-(4-chloropentyl)-2,4-dimethoxybenzamide?
The InChIKey is MRWJCVYFGMIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(15)5-4-8-16-14(17)12-7-6-11(18-2)9-13(12)19-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloropentyl)-2,4-dimethoxybenzamide?
N-(4-chloropentyl)-2,4-dimethoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 106129758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).