N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide

C20H18ClNO2 — CID 166367100

IUPACN-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1C2CC2C2CC21
InChIInChI=1S/C20H18ClNO2/c21-11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)22-20(23)19-17-9-15(17)16-10-18(16)19/h1-8,15-19H,9-10H2,(H,22,23)
InChIKeyLMTBMAXSCRRNGR-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.97
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide

N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide (PubChem CID 166367100) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide
PubChem CID166367100
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1C2CC2C2CC21
InChIInChI=1S/C20H18ClNO2/c21-11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)22-20(23)19-17-9-15(17)16-10-18(16)19/h1-8,15-19H,9-10H2,(H,22,23)
InChIKeyLMTBMAXSCRRNGR-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,3R,4S)-3-[[4-(4-chlorophenoxy)phenyl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 51706856
(1R,3S,6R,7R,9R)-N-[4-(4-chlorophenoxy)phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 2221876
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
(1S,2S,3S,4R)-2-N,3-N-bis(4-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1100687
(1S,2R,4R,5S,6R,7S)-7-[(4-chlorophenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 100861387
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
(1S,2R,4R,5S,6R,7R)-7-[[4-(4-methylphenoxy)phenyl]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124763086
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide (CID 166367100) is N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1C2CC2C2CC21.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide?
The InChIKey is LMTBMAXSCRRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)22-20(23)19-17-9-15(17)16-10-18(16)19/h1-8,15-19H,9-10H2,(H,22,23).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]tricyclo[4.1.0.02,4]heptane-5-carboxamide is sourced from PubChem (CID 166367100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).