N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide

C19H12BrClFNO2 — CID 11441566

IUPACN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12BrClFNO2/c20-17-11-15(23-19(24)12-2-1-3-13(21)10-12)6-9-18(17)25-16-7-4-14(22)5-8-16/h1-11H,(H,23,24)
InChIKeyJMKHMAHOYJNHDW-UHFFFAOYSA-N
MW420.67 g/mol
LogP6.29
Rot. Bonds4

About N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide

N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide (PubChem CID 11441566) has the molecular formula C19H12BrClFNO2 and a molecular weight of 420.67 g/mol. Its IUPAC name is N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide
PubChem CID11441566
Molecular FormulaC19H12BrClFNO2
Molecular Weight420.67 g/mol
Exact Mass418.97
IUPAC NameN-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12BrClFNO2/c20-17-11-15(23-19(24)12-2-1-3-13(21)10-12)6-9-18(17)25-16-7-4-14(22)5-8-16/h1-11H,(H,23,24)
InChIKeyJMKHMAHOYJNHDW-UHFFFAOYSA-N
XLogP6.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzenesulfonamide
CID 11213244
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
2-[4-[4-[(3-chlorobenzoyl)amino]phenoxy]-3-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]acetic acid
CID 59403222
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide
CID 166155656
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide (CID 11441566) is N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide is O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide?
The InChIKey is JMKHMAHOYJNHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClFNO2/c20-17-11-15(23-19(24)12-2-1-3-13(21)10-12)6-9-18(17)25-16-7-4-14(22)5-8-16/h1-11H,(H,23,24).
What are the key properties of N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide?
N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide has a molecular weight of 420.67 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 11441566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).