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

C19H20ClNO3 — CID 46684270

IUPAC6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H20ClNO3/c1-23-17-5-3-2-4-13(17)8-9-21-19(22)15-10-14-11-16(20)6-7-18(14)24-12-15/h2-7,11,15H,8-10,12H2,1H3,(H,21,22)
InChIKeyDAWIXJSZBJZALA-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.26
Rot. Bonds5

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

6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46684270) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46684270
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H20ClNO3/c1-23-17-5-3-2-4-13(17)8-9-21-19(22)15-10-14-11-16(20)6-7-18(14)24-12-15/h2-7,11,15H,8-10,12H2,1H3,(H,21,22)
InChIKeyDAWIXJSZBJZALA-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 119547491
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119547490
(3S)-6-chloro-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9088165
6-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46616259
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8641242
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
6-chloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55721577
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 46684270) is 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccccc1CCNC(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DAWIXJSZBJZALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-23-17-5-3-2-4-13(17)8-9-21-19(22)15-10-14-11-16(20)6-7-18(14)24-12-15/h2-7,11,15H,8-10,12H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46684270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).