N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide

C20H15BrClNO2 — CID 57391207

IUPACN-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C20H15BrClNO2/c21-15-9-10-19(18(22)13-15)23-20(24)12-14-5-4-8-17(11-14)25-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,24)
InChIKeyFNFHBMIZTXYTTB-UHFFFAOYSA-N
MW416.70 g/mol
LogP6.08
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide

N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide (PubChem CID 57391207) has the molecular formula C20H15BrClNO2 and a molecular weight of 416.70 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide
PubChem CID57391207
Molecular FormulaC20H15BrClNO2
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C20H15BrClNO2/c21-15-9-10-19(18(22)13-15)23-20(24)12-14-5-4-8-17(11-14)25-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,24)
InChIKeyFNFHBMIZTXYTTB-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 3898561
N-(3,4-dichlorophenyl)-2-(3-phenoxyphenyl)acetamide
CID 56951685
2-[3-(4-chlorophenoxy)phenyl]-N-(3-chlorophenyl)acetamide
CID 57391209
N-(4-bromophenyl)-2-(3-phenoxyphenyl)acetamide
CID 57394712
N-(3-chlorophenyl)-2-[3-(4-fluorophenoxy)phenyl]acetamide
CID 57394715
N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 57394716
N-(3-chlorophenyl)-4-(3-phenoxyphenyl)butanamide
CID 57401699
N-(2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 2600876
N-(3-chlorophenyl)-2-(3-phenoxyphenyl)acetamide
CID 57401698
N-(4-Bromo-2-chlorophenyl)-3-(2-chloro-3-methoxyphenyl)propanamide
CID 24212830
N-(4-Bromo-2-chlorophenyl)-3-(5-(2-chlorophenyl)-2-furyl)-2-propenamide
CID 45051448
3-bromo-N-(2-chlorophenyl)-4-ethoxybenzamide
CID 1277630

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide (CID 57391207) is N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide is O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide?
The InChIKey is FNFHBMIZTXYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO2/c21-15-9-10-19(18(22)13-15)23-20(24)12-14-5-4-8-17(11-14)25-16-6-2-1-3-7-16/h1-11,13H,12H2,(H,23,24).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide has a molecular weight of 416.70 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(3-phenoxyphenyl)acetamide is sourced from PubChem (CID 57391207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).