4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide

C19H22BrNO3 — CID 2450618

IUPAC4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)13(3)21-19(22)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyQMBMJGYHQSBASU-CYBMUJFWSA-N
MW392.29 g/mol
LogP4.74
Rot. Bonds7

About 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide

4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide (PubChem CID 2450618) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
PubChem CID2450618
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)13(3)21-19(22)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyQMBMJGYHQSBASU-CYBMUJFWSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide (CID 2450618) is 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1OCC.
What is the InChIKey of 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
The InChIKey is QMBMJGYHQSBASU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-23-17-11-8-15(12-18(17)24-5-2)13(3)21-19(22)14-6-9-16(20)10-7-14/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide?
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2450618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).