3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

C20H22ClNO4 — CID 133209935

IUPAC3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1ccc(OC)c(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C20H22ClNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23)
InChIKeyNDHWUPZKWZMLIC-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.39
Rot. Bonds4

About 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 133209935) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID133209935
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1ccc(OC)c(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C20H22ClNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23)
InChIKeyNDHWUPZKWZMLIC-UHFFFAOYSA-N
XLogP4.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
1-(3-chloro-4-methoxyphenyl)-3-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100721045
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 157017063
(E)-3-(3,4-dimethoxyphenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]prop-2-enamide
CID 99996975

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 133209935) is 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is COc1ccc2c(c1)C(NC(=O)c1ccc(OC)c(Cl)c1)CC(C)(C)O2.
What is the InChIKey of 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is NDHWUPZKWZMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-20(2)11-16(14-10-13(24-3)6-8-17(14)26-20)22-19(23)12-5-7-18(25-4)15(21)9-12/h5-10,16H,11H2,1-4H3,(H,22,23).
What are the key properties of 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 375.85 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 133209935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).