N-(3-bromophenyl)-2-chloro-4-fluorobenzamide

C13H8BrClFNO — CID 24699810

IUPACN-(3-bromophenyl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8BrClFNO/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(16)7-12(11)15/h1-7H,(H,17,18)
InChIKeyQFCDWKCJKSUEIB-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About N-(3-bromophenyl)-2-chloro-4-fluorobenzamide

N-(3-bromophenyl)-2-chloro-4-fluorobenzamide (PubChem CID 24699810) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-chloro-4-fluorobenzamide
PubChem CID24699810
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC NameN-(3-bromophenyl)-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8BrClFNO/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(16)7-12(11)15/h1-7H,(H,17,18)
InChIKeyQFCDWKCJKSUEIB-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46569659
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-bromophenyl)-2-chloro-4-fluorobenzamide (CID 24699810) is N-(3-bromophenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-bromophenyl)-2-chloro-4-fluorobenzamide is O=C(Nc1cccc(Br)c1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-bromophenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is QFCDWKCJKSUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(16)7-12(11)15/h1-7H,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-chloro-4-fluorobenzamide?
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide has a molecular weight of 328.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 24699810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).