2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide

C14H13BrClNO2 — CID 103614267

IUPAC2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCN(Cc1ccco1)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO2/c1-2-17(9-11-4-3-7-19-11)14(18)12-8-10(16)5-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyIVOJIDMJHQHRMD-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.36
Rot. Bonds4

About 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide

2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 103614267) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
PubChem CID103614267
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCN(Cc1ccco1)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO2/c1-2-17(9-11-4-3-7-19-11)14(18)12-8-10(16)5-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyIVOJIDMJHQHRMD-UHFFFAOYSA-N
XLogP4.36
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
3-[(2-bromo-5-chlorobenzoyl)-ethylamino]propanoic acid
CID 75516401
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 79832071
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide (CID 103614267) is 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide is CCN(Cc1ccco1)C(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IVOJIDMJHQHRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-2-17(9-11-4-3-7-19-11)14(18)12-8-10(16)5-6-13(12)15/h3-8H,2,9H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide?
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 342.62 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 103614267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).