4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide

C16H16BrNO2 — CID 78991962

IUPAC4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-4-7-13(8-5-11)18(2)16(19)14-9-6-12(17)10-15(14)20-3/h4-10H,1-3H3
InChIKeyBTRVRIWMJQKRCR-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.04
Rot. Bonds3

About 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide

4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide (PubChem CID 78991962) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
PubChem CID78991962
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-4-7-13(8-5-11)18(2)16(19)14-9-6-12(17)10-15(14)20-3/h4-10H,1-3H3
InChIKeyBTRVRIWMJQKRCR-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 78988590
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107729726
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide (CID 78991962) is 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide is COc1cc(Br)ccc1C(=O)N(C)c1ccc(C)cc1.
What is the InChIKey of 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is BTRVRIWMJQKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-4-7-13(8-5-11)18(2)16(19)14-9-6-12(17)10-15(14)20-3/h4-10H,1-3H3.
What are the key properties of 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide?
4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 78991962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).