N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide

C15H12BrClFNO — CID 61400517

IUPACN-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c16-11-6-4-10(5-7-11)9-19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyWAVXOJUPCPRNRF-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.10
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 61400517) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID61400517
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c16-11-6-4-10(5-7-11)9-19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyWAVXOJUPCPRNRF-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
CID 335179
2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2110092
2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 797921
N-(2-chlorobenzyl)-4-phenylbutanamide
CID 885815
5-bromo-2-chloro-N-(1-phenylethyl)benzamide
CID 2953712
5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide
CID 2547713
2-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 2679599
N-(2-chlorobenzyl)-2,6-difluorobenzamide
CID 874655
N-benzyl-2-chloro-6-fluorobenzamide
CID 898317
2-Chloro-4,5-difluoro-N-(2-phenylethyl)benzamide
CID 569050
Hydrocinnamamide, N-benzyl-o-chloro-
CID 64877

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 61400517) is N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is WAVXOJUPCPRNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-11-6-4-10(5-7-11)9-19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 356.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 61400517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).