cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide

C14H17Cl2NO2 — CID 53391518

IUPACcis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO
InChIInChI=1S/C14H17Cl2NO2/c1-17-13(19)14(6-2-3-10(14)8-18)9-4-5-11(15)12(16)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,17,19)/t10-,14+/m0/s1
InChIKeyYYWQUXAUWFKDDF-IINYFYTJSA-N
MW302.20 g/mol
LogP2.77
Rot. Bonds3

About cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide

cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 53391518) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID53391518
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Namecis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO
InChIInChI=1S/C14H17Cl2NO2/c1-17-13(19)14(6-2-3-10(14)8-18)9-4-5-11(15)12(16)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,17,19)/t10-,14+/m0/s1
InChIKeyYYWQUXAUWFKDDF-IINYFYTJSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide (CID 53391518) is cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide is CNC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H]1CO.
What is the InChIKey of cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is YYWQUXAUWFKDDF-IINYFYTJSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-17-13(19)14(6-2-3-10(14)8-18)9-4-5-11(15)12(16)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,17,19)/t10-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide?
cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 53391518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).