N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide

C14H10BrClFNO2 — CID 103824600

IUPACN-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-8(2-5-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyGUDADWUAUATDIR-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide

N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 103824600) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
PubChem CID103824600
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-8(2-5-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyGUDADWUAUATDIR-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide (CID 103824600) is N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1F.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is GUDADWUAUATDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-6-8(2-5-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide?
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 358.59 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 103824600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).