3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C19H20ClNO2 — CID 132651440

IUPAC3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c1-12-7-8-15-16(11-19(2,3)23-17(15)9-12)21-18(22)13-5-4-6-14(20)10-13/h4-10,16H,11H2,1-3H3,(H,21,22)
InChIKeyYEXQTHIEILZQNU-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.68
Rot. Bonds2

About 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132651440) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132651440
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c1-12-7-8-15-16(11-19(2,3)23-17(15)9-12)21-18(22)13-5-4-6-14(20)10-13/h4-10,16H,11H2,1-3H3,(H,21,22)
InChIKeyYEXQTHIEILZQNU-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668424
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668421
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590455
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132651440) is 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is YEXQTHIEILZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-12-7-8-15-16(11-19(2,3)23-17(15)9-12)21-18(22)13-5-4-6-14(20)10-13/h4-10,16H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 329.83 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132651440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).