2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide

C20H27ClN2O2 — CID 109139702

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H27ClN2O2/c21-15-7-5-6-14(12-15)10-11-22-19(24)17-13-18(17)20(25)23-16-8-3-1-2-4-9-16/h5-7,12,16-18H,1-4,8-11,13H2,(H,22,24)(H,23,25)
InChIKeyVXJZFZBJQBVKNC-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.47
Rot. Bonds6

About 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide

2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide (PubChem CID 109139702) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
PubChem CID109139702
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H27ClN2O2/c21-15-7-5-6-14(12-15)10-11-22-19(24)17-13-18(17)20(25)23-16-8-3-1-2-4-9-16/h5-7,12,16-18H,1-4,8-11,13H2,(H,22,24)(H,23,25)
InChIKeyVXJZFZBJQBVKNC-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140623
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide (CID 109139702) is 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide is O=C(NCCc1cccc(Cl)c1)C1CC1C(=O)NC1CCCCCC1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide?
The InChIKey is VXJZFZBJQBVKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-15-7-5-6-14(12-15)10-11-22-19(24)17-13-18(17)20(25)23-16-8-3-1-2-4-9-16/h5-7,12,16-18H,1-4,8-11,13H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide?
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).