3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide

C20H22ClNO3 — CID 133166366

IUPAC3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1Cl
InChIInChI=1S/C20H22ClNO3/c1-4-24-18-10-9-13(11-15(18)21)19(23)22-16-12-20(2,3)25-17-8-6-5-7-14(16)17/h5-11,16H,4,12H2,1-3H3,(H,22,23)
InChIKeyLUCDQUVADUGGQW-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.77
Rot. Bonds4

About 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide

3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide (PubChem CID 133166366) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
PubChem CID133166366
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1Cl
InChIInChI=1S/C20H22ClNO3/c1-4-24-18-10-9-13(11-15(18)21)19(23)22-16-12-20(2,3)25-17-8-6-5-7-14(16)17/h5-11,16H,4,12H2,1-3H3,(H,22,23)
InChIKeyLUCDQUVADUGGQW-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
CID 46977380
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2-(3-chlorophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132656164
methyl 4-chloro-3-[[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamothioylamino]benzoate
CID 100684829

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide (CID 133166366) is 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide?
The InChIKey is LUCDQUVADUGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-4-24-18-10-9-13(11-15(18)21)19(23)22-16-12-20(2,3)25-17-8-6-5-7-14(16)17/h5-11,16H,4,12H2,1-3H3,(H,22,23).
What are the key properties of 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide?
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide has a molecular weight of 359.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide is sourced from PubChem (CID 133166366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).