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

C14H17Cl2NOS — CID 114146880

IUPAC2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H17Cl2NOS/c1-19-11-4-5-13(16)12(7-11)14(18)17-8-9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyCVHJIRNSRWOCCR-UHFFFAOYSA-N
MW318.27 g/mol
LogP4.20
Rot. Bonds4

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

2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide (PubChem CID 114146880) has the molecular formula C14H17Cl2NOS and a molecular weight of 318.27 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
PubChem CID114146880
Molecular FormulaC14H17Cl2NOS
Molecular Weight318.27 g/mol
Exact Mass317.04
IUPAC Name2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H17Cl2NOS/c1-19-11-4-5-13(16)12(7-11)14(18)17-8-9-2-3-10(15)6-9/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyCVHJIRNSRWOCCR-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.20
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

N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
N-[(4-chlorocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106133906
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide (CID 114146880) is 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCC2CCC(Cl)C2)c1.
What is the InChIKey of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide?
The InChIKey is CVHJIRNSRWOCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NOS/c1-19-11-4-5-13(16)12(7-11)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 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide has a molecular weight of 318.27 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 114146880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).