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

C16H15BrClNO2 — CID 103985509

IUPAC3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyRTFUYHQZNXJYBM-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide

3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 103985509) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID103985509
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C16H15BrClNO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyRTFUYHQZNXJYBM-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103975283
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 103985509) is 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is RTFUYHQZNXJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 103985509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).