5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide

C14H17Cl2NO2 — CID 114146911

IUPAC5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C14H17Cl2NO2/c1-19-13-5-4-11(16)7-12(13)14(18)17-8-9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyXBHYOPQECBWZOA-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide

5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide (PubChem CID 114146911) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
PubChem CID114146911
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C14H17Cl2NO2/c1-19-13-5-4-11(16)7-12(13)14(18)17-8-9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyXBHYOPQECBWZOA-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.49
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

5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide (CID 114146911) is 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC1CCC(Cl)C1.
What is the InChIKey of 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide?
The InChIKey is XBHYOPQECBWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-19-13-5-4-11(16)7-12(13)14(18)17-8-9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide?
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide has a molecular weight of 302.20 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 114146911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).