2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide

C14H19BrClNO2 — CID 103278099

IUPAC2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
SMILESCCOCC(NC(=O)c1cc(Cl)ccc1Br)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-4-19-8-13(9(2)3)17-14(18)11-7-10(16)5-6-12(11)15/h5-7,9,13H,4,8H2,1-3H3,(H,17,18)
InChIKeyXZWBHEOYMBTDNC-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.89
Rot. Bonds6

About 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide

2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide (PubChem CID 103278099) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
PubChem CID103278099
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
SMILESCCOCC(NC(=O)c1cc(Cl)ccc1Br)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-4-19-8-13(9(2)3)17-14(18)11-7-10(16)5-6-12(11)15/h5-7,9,13H,4,8H2,1-3H3,(H,17,18)
InChIKeyXZWBHEOYMBTDNC-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971
2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114113916
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
CID 103750071
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide (CID 103278099) is 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide is CCOCC(NC(=O)c1cc(Cl)ccc1Br)C(C)C.
What is the InChIKey of 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide?
The InChIKey is XZWBHEOYMBTDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-4-19-8-13(9(2)3)17-14(18)11-7-10(16)5-6-12(11)15/h5-7,9,13H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide?
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide has a molecular weight of 348.67 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 103278099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).