N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

C25H26BrFN2O3 — CID 66544865

IUPACN-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C25H26BrFN2O3/c1-16(2)25(30)29-21-10-8-20(9-11-21)28-14-18-12-23(31-3)24(13-22(18)26)32-15-17-4-6-19(27)7-5-17/h4-13,16,28H,14-15H2,1-3H3,(H,29,30)
InChIKeyHPMZCSJFWODACJ-UHFFFAOYSA-N
MW501.40 g/mol
LogP6.38
Rot. Bonds9

About N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (PubChem CID 66544865) has the molecular formula C25H26BrFN2O3 and a molecular weight of 501.40 g/mol. Its IUPAC name is N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
PubChem CID66544865
Molecular FormulaC25H26BrFN2O3
Molecular Weight501.40 g/mol
Exact Mass500.11
IUPAC NameN-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C25H26BrFN2O3/c1-16(2)25(30)29-21-10-8-20(9-11-21)28-14-18-12-23(31-3)24(13-22(18)26)32-15-17-4-6-19(27)7-5-17/h4-13,16,28H,14-15H2,1-3H3,(H,29,30)
InChIKeyHPMZCSJFWODACJ-UHFFFAOYSA-N
XLogP6.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.40
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide 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

N-[4-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66543005
4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2,6-dichlorophenol
CID 66545022
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
ethyl 4-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoate
CID 66544714
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66544478
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585
2-[5-bromo-4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535238
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
CID 66542049
N-[3-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-3-methylbutanamide
CID 66544895
2-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66532583
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-chlorobenzoic acid
CID 66544697

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (CID 66544865) is N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is COc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Br)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The InChIKey is HPMZCSJFWODACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrFN2O3/c1-16(2)25(30)29-21-10-8-20(9-11-21)28-14-18-12-23(31-3)24(13-22(18)26)32-15-17-4-6-19(27)7-5-17/h4-13,16,28H,14-15H2,1-3H3,(H,29,30).
What are the key properties of N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
N-[4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide has a molecular weight of 501.40 g/mol, XLogP of 6.38, 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-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 66544865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).