5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide

C20H21BrClNO2 — CID 100537655

IUPAC5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCCC1(CC)C[C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1
InChIInChI=1S/C20H21BrClNO2/c1-3-20(4-2)12-17(14-7-5-6-8-18(14)25-20)23-19(24)15-11-13(21)9-10-16(15)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJLYKRBJPRIXNCH-QGZVFWFLSA-N
MW422.75 g/mol
LogP5.91
Rot. Bonds4

About 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide

5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 100537655) has the molecular formula C20H21BrClNO2 and a molecular weight of 422.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID100537655
Molecular FormulaC20H21BrClNO2
Molecular Weight422.75 g/mol
Exact Mass421.04
IUPAC Name5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCCC1(CC)C[C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1
InChIInChI=1S/C20H21BrClNO2/c1-3-20(4-2)12-17(14-7-5-6-8-18(14)25-20)23-19(24)15-11-13(21)9-10-16(15)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJLYKRBJPRIXNCH-QGZVFWFLSA-N
XLogP5.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
2-chloro-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-5-(methanesulfonamido)benzamide
CID 100528225
2-chloro-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 133262150
4-(benzenesulfonamido)-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100581872
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
4-chloro-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 100518184
1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]urea
CID 100690269
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100501762
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide (CID 100537655) is 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide is CCC1(CC)C[C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is JLYKRBJPRIXNCH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21BrClNO2/c1-3-20(4-2)12-17(14-7-5-6-8-18(14)25-20)23-19(24)15-11-13(21)9-10-16(15)22/h5-11,17H,3-4,12H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide?
5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 422.75 g/mol, XLogP of 5.91, 4 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-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 100537655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).