N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide

C24H24BrClN2O3 — CID 66542049

IUPACN-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H24BrClN2O3/c1-3-30-23-12-18(14-27-20-8-10-21(11-9-20)28-16(2)29)22(25)13-24(23)31-15-17-4-6-19(26)7-5-17/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyOMSYETDWGVWUGA-UHFFFAOYSA-N
MW503.82 g/mol
LogP6.65
Rot. Bonds9

About N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide

N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide (PubChem CID 66542049) has the molecular formula C24H24BrClN2O3 and a molecular weight of 503.82 g/mol. Its IUPAC name is N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
PubChem CID66542049
Molecular FormulaC24H24BrClN2O3
Molecular Weight503.82 g/mol
Exact Mass502.07
IUPAC NameN-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
SMILESCCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H24BrClN2O3/c1-3-30-23-12-18(14-27-20-8-10-21(11-9-20)28-16(2)29)22(25)13-24(23)31-15-17-4-6-19(26)7-5-17/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyOMSYETDWGVWUGA-UHFFFAOYSA-N
XLogP6.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.82
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66544478
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66541868
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66541127
4-bromo-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542085
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 66544608
4-bromo-N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66541479
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66541783
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-chloroaniline
CID 66541264

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide (CID 66542049) is N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide is CCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide?
The InChIKey is OMSYETDWGVWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3/c1-3-30-23-12-18(14-27-20-8-10-21(11-9-20)28-16(2)29)22(25)13-24(23)31-15-17-4-6-19(26)7-5-17/h4-13,27H,3,14-15H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide?
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide has a molecular weight of 503.82 g/mol, XLogP of 6.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 66542049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).