3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide

C18H19BrClNO3 — CID 5034614

IUPAC3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19BrClNO3/c1-3-9-24-17-13(19)10-12(11-16(17)23-4-2)18(22)21-15-8-6-5-7-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyKQCRJGSWKQCUNL-UHFFFAOYSA-N
MW412.71 g/mol
LogP5.54
Rot. Bonds7

About 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide

3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide (PubChem CID 5034614) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
PubChem CID5034614
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCC
InChIInChI=1S/C18H19BrClNO3/c1-3-9-24-17-13(19)10-12(11-16(17)23-4-2)18(22)21-15-8-6-5-7-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyKQCRJGSWKQCUNL-UHFFFAOYSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206
3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
CID 3908211
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509267
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide (CID 5034614) is 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCC.
What is the InChIKey of 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide?
The InChIKey is KQCRJGSWKQCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-3-9-24-17-13(19)10-12(11-16(17)23-4-2)18(22)21-15-8-6-5-7-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide?
3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide has a molecular weight of 412.71 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 5034614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).