N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C16H14BrClFNO — CID 18082467

IUPACN-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClFNO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyDUORQSBIUCLWHP-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.66
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 18082467) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID18082467
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClFNO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyDUORQSBIUCLWHP-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2110092
2-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 797921
5-bromo-2-chloro-N-(1-phenylethyl)benzamide
CID 2953712
2-(4-bromophenyl)-N-(1-phenylethyl)acetamide
CID 2887072
3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 4884406
(E)-3-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]prop-2-enamide
CID 6216454
(E)-N-[1-(2-bromophenyl)-2-(tert-butylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]but-2-enamide
CID 137632650
(3R)-N-[(2S)-3-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-2-(dimethylamino)propyl]-5-methyl-3-phenylhexanamide
CID 165405301
N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 2923839
2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide
CID 42905863

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 18082467) is N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is DUORQSBIUCLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-10(11-5-7-12(17)8-6-11)20-16(21)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 370.65 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 18082467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).