cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide

C14H16Cl2N2O2 — CID 66553157

IUPACcis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-6-5-8(7-12(11)16)18-14(20)10-4-2-1-3-9(10)13(17)19/h5-7,9-10H,1-4H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1
InChIKeyAVKZWCJNDWOBAM-ZJUUUORDSA-N
MW315.20 g/mol
LogP3.22
Rot. Bonds3

About cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide

cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide (PubChem CID 66553157) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide
PubChem CID66553157
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Namecis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-6-5-8(7-12(11)16)18-14(20)10-4-2-1-3-9(10)13(17)19/h5-7,9-10H,1-4H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1
InChIKeyAVKZWCJNDWOBAM-ZJUUUORDSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide (CID 66553157) is cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide is NC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is AVKZWCJNDWOBAM-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-6-5-8(7-12(11)16)18-14(20)10-4-2-1-3-9(10)13(17)19/h5-7,9-10H,1-4H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 315.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 66553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).