3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

C20H22ClNO3 — CID 100537401

IUPAC3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl
InChIInChI=1S/C20H22ClNO3/c1-12-5-7-17-14(9-12)16(11-20(2,3)25-17)22-19(23)13-6-8-18(24-4)15(21)10-13/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyQYRMTBBQIUGHMV-INIZCTEOSA-N
MW359.85 g/mol
LogP4.69
Rot. Bonds3

About 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 100537401) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID100537401
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl
InChIInChI=1S/C20H22ClNO3/c1-12-5-7-17-14(9-12)16(11-20(2,3)25-17)22-19(23)13-6-8-18(24-4)15(21)10-13/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyQYRMTBBQIUGHMV-INIZCTEOSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100716303
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896076
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100682281
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (CID 100537401) is 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is QYRMTBBQIUGHMV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-12-5-7-17-14(9-12)16(11-20(2,3)25-17)22-19(23)13-6-8-18(24-4)15(21)10-13/h5-10,16H,11H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 359.85 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 100537401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).