2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C16H16BrNO2 — CID 962592

IUPAC2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDFNWFPIRQDKKIQ-NSHDSACASA-N
MW334.21 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 962592) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID962592
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDFNWFPIRQDKKIQ-NSHDSACASA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 962592) is 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is DFNWFPIRQDKKIQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(12-7-9-13(20-2)10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 962592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).