N-(4-chloropentyl)-3,5-dimethoxybenzamide

C14H20ClNO3 — CID 106130065

IUPACN-(4-chloropentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCC(C)Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-10(15)5-4-6-16-14(17)11-7-12(18-2)9-13(8-11)19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyUGWGIEOXGYIYFM-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.84
Rot. Bonds7

About N-(4-chloropentyl)-3,5-dimethoxybenzamide

N-(4-chloropentyl)-3,5-dimethoxybenzamide (PubChem CID 106130065) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloropentyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3,5-dimethoxybenzamide
PubChem CID106130065
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloropentyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCC(C)Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-10(15)5-4-6-16-14(17)11-7-12(18-2)9-13(8-11)19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyUGWGIEOXGYIYFM-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-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-(4-bromo-2-methylbutyl)-3,5-dimethoxybenzamide
CID 114316944
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(4-chloropentyl)-3,5-dimethoxybenzamide (CID 106130065) is N-(4-chloropentyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-chloropentyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(4-chloropentyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCCC(C)Cl)c1.
What is the InChIKey of N-(4-chloropentyl)-3,5-dimethoxybenzamide?
The InChIKey is UGWGIEOXGYIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(15)5-4-6-16-14(17)11-7-12(18-2)9-13(8-11)19-3/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloropentyl)-3,5-dimethoxybenzamide?
N-(4-chloropentyl)-3,5-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)-3,5-dimethoxybenzamide is sourced from PubChem (CID 106130065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).