6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide

C18H16ClNO2 — CID 16652197

IUPAC6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H16ClNO2/c1-2-12-5-3-4-6-16(12)20-18(21)14-9-13-10-15(19)7-8-17(13)22-11-14/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyBQKHNWGMLMKSRZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.32
Rot. Bonds3

About 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide

6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide (PubChem CID 16652197) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
PubChem CID16652197
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H16ClNO2/c1-2-12-5-3-4-6-16(12)20-18(21)14-9-13-10-15(19)7-8-17(13)22-11-14/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyBQKHNWGMLMKSRZ-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 55441969
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate
CID 55443762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide (CID 16652197) is 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide is CCc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is BQKHNWGMLMKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-2-12-5-3-4-6-16(12)20-18(21)14-9-13-10-15(19)7-8-17(13)22-11-14/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide?
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 16652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).