5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

C18H17BrClNO2 — CID 133164751

IUPAC5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1
InChIInChI=1S/C18H17BrClNO2/c1-18(2)10-15(12-5-3-4-6-16(12)23-18)21-17(22)13-9-11(19)7-8-14(13)20/h3-9,15H,10H2,1-2H3,(H,21,22)
InChIKeyFOIZLNDMNQATBB-UHFFFAOYSA-N
MW394.70 g/mol
LogP5.13
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 133164751) has the molecular formula C18H17BrClNO2 and a molecular weight of 394.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID133164751
Molecular FormulaC18H17BrClNO2
Molecular Weight394.70 g/mol
Exact Mass393.01
IUPAC Name5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1
InChIInChI=1S/C18H17BrClNO2/c1-18(2)10-15(12-5-3-4-6-16(12)23-18)21-17(22)13-9-11(19)7-8-14(13)20/h3-9,15H,10H2,1-2H3,(H,21,22)
InChIKeyFOIZLNDMNQATBB-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.70
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537655
N-(3-bromo-4-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139547
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99713364
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
2-(3-bromo-N-methylsulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895482
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 132672578
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
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 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 133164751) is 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is CC1(C)CC(NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1.
What is the InChIKey of 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is FOIZLNDMNQATBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClNO2/c1-18(2)10-15(12-5-3-4-6-16(12)23-18)21-17(22)13-9-11(19)7-8-14(13)20/h3-9,15H,10H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide?
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 394.70 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 133164751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).