N-(4-bromophenyl)-3,4-dimethoxybenzamide

C15H14BrNO3 — CID 855033

IUPACN-(4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C15H14BrNO3/c1-19-13-8-3-10(9-14(13)20-2)15(18)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyWQXSBRRDZQUPFG-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds4

About N-(4-bromophenyl)-3,4-dimethoxybenzamide

N-(4-bromophenyl)-3,4-dimethoxybenzamide (PubChem CID 855033) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4-dimethoxybenzamide
PubChem CID855033
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(4-bromophenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C15H14BrNO3/c1-19-13-8-3-10(9-14(13)20-2)15(18)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyWQXSBRRDZQUPFG-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
(4-bromoanilino) 3,4-dimethoxybenzoate
CID 12916142
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-bromophenyl)-3,4-dimethoxybenzamide (CID 855033) is N-(4-bromophenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-bromophenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-(4-bromophenyl)-3,4-dimethoxybenzamide?
The InChIKey is WQXSBRRDZQUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-13-8-3-10(9-14(13)20-2)15(18)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-3,4-dimethoxybenzamide?
N-(4-bromophenyl)-3,4-dimethoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 855033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).