3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide

C19H20ClNO3 — CID 99994456

IUPAC3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2)11-16(15-8-7-14(23-3)10-17(15)24-19)21-18(22)12-5-4-6-13(20)9-12/h4-10,16H,11H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyVHYGKCACIUZFOC-MRXNPFEDSA-N
MW345.83 g/mol
LogP4.38
Rot. Bonds3

About 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide

3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 99994456) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID99994456
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2)11-16(15-8-7-14(23-3)10-17(15)24-19)21-18(22)12-5-4-6-13(20)9-12/h4-10,16H,11H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyVHYGKCACIUZFOC-MRXNPFEDSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
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
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 50949936
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
3-(2,4-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100608648
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide (CID 99994456) is 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is VHYGKCACIUZFOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-19(2)11-16(15-8-7-14(23-3)10-17(15)24-19)21-18(22)12-5-4-6-13(20)9-12/h4-10,16H,11H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide?
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 99994456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).