2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide

C16H15Br2NO2 — CID 103882028

IUPAC2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-21-15-5-3-2-4-11(15)8-9-19-16(20)13-7-6-12(17)10-14(13)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyNNSFJYLGAOROFA-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.19
Rot. Bonds5

About 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide

2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 103882028) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID103882028
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-21-15-5-3-2-4-11(15)8-9-19-16(20)13-7-6-12(17)10-14(13)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyNNSFJYLGAOROFA-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
7-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-oxoisochromene-3-carboxamide
CID 172905649
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 103882028) is 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is NNSFJYLGAOROFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-21-15-5-3-2-4-11(15)8-9-19-16(20)13-7-6-12(17)10-14(13)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 413.11 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 103882028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).