N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide

C16H15BrClNO3 — CID 3392529

IUPACN-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C16H15BrClNO3/c1-3-22-15-12(18)8-10(9-14(15)21-2)16(20)19-13-7-5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyRBZDZESSDILTPT-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.76
Rot. Bonds5

About N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide

N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 3392529) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID3392529
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC NameN-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C16H15BrClNO3/c1-3-22-15-12(18)8-10(9-14(15)21-2)16(20)19-13-7-5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyRBZDZESSDILTPT-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide (CID 3392529) is N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OC.
What is the InChIKey of N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is RBZDZESSDILTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-3-22-15-12(18)8-10(9-14(15)21-2)16(20)19-13-7-5-4-6-11(13)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide?
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 384.66 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 3392529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).