3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide

C14H17Cl2NO3 — CID 103751365

IUPAC3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC2CCCC2CO)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-20-13-10(15)5-9(6-11(13)16)14(19)17-12-4-2-3-8(12)7-18/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyPWTQICOXQWPGCO-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.89
Rot. Bonds4

About 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide

3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide (PubChem CID 103751365) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
PubChem CID103751365
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NC2CCCC2CO)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-20-13-10(15)5-9(6-11(13)16)14(19)17-12-4-2-3-8(12)7-18/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyPWTQICOXQWPGCO-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 46612296
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide (CID 103751365) is 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NC2CCCC2CO)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide?
The InChIKey is PWTQICOXQWPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-20-13-10(15)5-9(6-11(13)16)14(19)17-12-4-2-3-8(12)7-18/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide?
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide has a molecular weight of 318.20 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 103751365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).