3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide

C15H13BrFNO2 — CID 107952297

IUPAC3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H13BrFNO2/c1-18(11-4-6-12(20-2)7-5-11)15(19)10-3-8-14(17)13(16)9-10/h3-9H,1-2H3
InChIKeyKOJWIXRFHPNKPK-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.87
Rot. Bonds3

About 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide

3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide (PubChem CID 107952297) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
PubChem CID107952297
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H13BrFNO2/c1-18(11-4-6-12(20-2)7-5-11)15(19)10-3-8-14(17)13(16)9-10/h3-9H,1-2H3
InChIKeyKOJWIXRFHPNKPK-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide (CID 107952297) is 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide is COc1ccc(N(C)C(=O)c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide?
The InChIKey is KOJWIXRFHPNKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-18(11-4-6-12(20-2)7-5-11)15(19)10-3-8-14(17)13(16)9-10/h3-9H,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide?
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107952297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).