3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide

C15H19Cl2NO3 — CID 115362194

IUPAC3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-21-13-11(16)6-10(7-12(13)17)14(20)18-8-15(9-19)4-2-3-5-15/h6-7,19H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyGKWMICMZMRCZIQ-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.28
Rot. Bonds5

About 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide

3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide (PubChem CID 115362194) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
PubChem CID115362194
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO3/c1-21-13-11(16)6-10(7-12(13)17)14(20)18-8-15(9-19)4-2-3-5-15/h6-7,19H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyGKWMICMZMRCZIQ-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80717032
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide (CID 115362194) is 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCC2(CO)CCCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
The InChIKey is GKWMICMZMRCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-21-13-11(16)6-10(7-12(13)17)14(20)18-8-15(9-19)4-2-3-5-15/h6-7,19H,2-5,8-9H2,1H3,(H,18,20).
What are the key properties of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide?
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide has a molecular weight of 332.23 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 115362194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).