6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide

C20H22ClNO2 — CID 158603842

IUPAC6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cc(Cl)cc3c2OCCC3)cc1
InChIInChI=1S/C20H22ClNO2/c1-2-14-5-7-15(8-6-14)9-10-22-20(23)18-13-17(21)12-16-4-3-11-24-19(16)18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23)
InChIKeyHVYUWCQUGLYVGS-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.20
Rot. Bonds5

About 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide

6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 158603842) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID158603842
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cc(Cl)cc3c2OCCC3)cc1
InChIInChI=1S/C20H22ClNO2/c1-2-14-5-7-15(8-6-14)9-10-22-20(23)18-13-17(21)12-16-4-3-11-24-19(16)18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23)
InChIKeyHVYUWCQUGLYVGS-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 158603842) is 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide is CCc1ccc(CCNC(=O)c2cc(Cl)cc3c2OCCC3)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is HVYUWCQUGLYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-2-14-5-7-15(8-6-14)9-10-22-20(23)18-13-17(21)12-16-4-3-11-24-19(16)18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23).
What are the key properties of 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide?
6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 343.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 158603842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).