10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

C19H23Cl2NO2 — CID 2894969

IUPAC10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1C2CCC3C(CCC21)C3(Cl)Cl
InChIInChI=1S/C19H23Cl2NO2/c1-2-24-16-6-4-3-5-15(16)22-18(23)17-11-7-9-13-14(19(13,20)21)10-8-12(11)17/h3-6,11-14,17H,2,7-10H2,1H3,(H,22,23)
InChIKeyDZBNRLJJOLPANB-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.88
Rot. Bonds4

About 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (PubChem CID 2894969) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.

Molecular Properties

Compound Name10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
PubChem CID2894969
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1C2CCC3C(CCC21)C3(Cl)Cl
InChIInChI=1S/C19H23Cl2NO2/c1-2-24-16-6-4-3-5-15(16)22-18(23)17-11-7-9-13-14(19(13,20)21)10-8-12(11)17/h3-6,11-14,17H,2,7-10H2,1H3,(H,22,23)
InChIKeyDZBNRLJJOLPANB-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.88
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

(2Z)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 56690090
N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 23992983
(1S,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 97038109
(1R,8S,9S)-N-(2-ethoxyphenyl)bicyclo[6.1.0]non-2-ene-9-carboxamide
CID 100882580
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
(1R,2R,3R,4R)-3-[(2-ethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99720915
(1R,3S,6R,7R,9R)-N-(2-ethoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 9067289

Frequently Asked Questions

What is the IUPAC name of 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The IUPAC name of 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide (CID 2894969) is 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide.
What is the SMILES notation for 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The canonical SMILES for 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is CCOc1ccccc1NC(=O)C1C2CCC3C(CCC21)C3(Cl)Cl.
What is the InChIKey of 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
The InChIKey is DZBNRLJJOLPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-2-24-16-6-4-3-5-15(16)22-18(23)17-11-7-9-13-14(19(13,20)21)10-8-12(11)17/h3-6,11-14,17H,2,7-10H2,1H3,(H,22,23).
What are the key properties of 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide?
10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide has a molecular weight of 368.30 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dichloro-N-(2-ethoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide is sourced from PubChem (CID 2894969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).