N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide

C23H21BrCl2N2O3 — CID 66544585

IUPACN-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21BrCl2N2O3/c1-14(29)28-19-7-5-18(6-8-19)27-12-16-9-22(30-2)23(11-20(16)24)31-13-15-3-4-17(25)10-21(15)26/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyTUSMSRORMHFILB-UHFFFAOYSA-N
MW524.24 g/mol
LogP6.91
Rot. Bonds8

About N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide

N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide (PubChem CID 66544585) has the molecular formula C23H21BrCl2N2O3 and a molecular weight of 524.24 g/mol. Its IUPAC name is N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
PubChem CID66544585
Molecular FormulaC23H21BrCl2N2O3
Molecular Weight524.24 g/mol
Exact Mass522.01
IUPAC NameN-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21BrCl2N2O3/c1-14(29)28-19-7-5-18(6-8-19)27-12-16-9-22(30-2)23(11-20(16)24)31-13-15-3-4-17(25)10-21(15)26/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyTUSMSRORMHFILB-UHFFFAOYSA-N
XLogP6.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.24
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzenesulfonamide
CID 66544745
4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66541783
3-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-1-ol
CID 66534180
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
CID 66542049
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
N-[4-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66543005
1-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 66534188
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,5-dichloroaniline
CID 66542018
3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 66540125
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544823
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66543083

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide (CID 66544585) is N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide is COc1cc(CNc2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The InChIKey is TUSMSRORMHFILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrCl2N2O3/c1-14(29)28-19-7-5-18(6-8-19)27-12-16-9-22(30-2)23(11-20(16)24)31-13-15-3-4-17(25)10-21(15)26/h3-11,27H,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide has a molecular weight of 524.24 g/mol, XLogP of 6.91, 8 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-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 66544585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).