N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide

C23H21BrClFN2O3 — CID 66543586

IUPACN-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1ccc(Br)c(CNc2ccc(NC(C)=O)cc2)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C23H21BrClFN2O3/c1-14(29)28-16-8-6-15(7-9-16)27-12-17-19(24)10-11-22(30-2)23(17)31-13-18-20(25)4-3-5-21(18)26/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyRNISFLFUPUFXOG-UHFFFAOYSA-N
MW507.79 g/mol
LogP6.40
Rot. Bonds8

About N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide

N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide (PubChem CID 66543586) has the molecular formula C23H21BrClFN2O3 and a molecular weight of 507.79 g/mol. Its IUPAC name is N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
PubChem CID66543586
Molecular FormulaC23H21BrClFN2O3
Molecular Weight507.79 g/mol
Exact Mass506.04
IUPAC NameN-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1ccc(Br)c(CNc2ccc(NC(C)=O)cc2)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C23H21BrClFN2O3/c1-14(29)28-16-8-6-15(7-9-16)27-12-17-19(24)10-11-22(30-2)23(17)31-13-18-20(25)4-3-5-21(18)26/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyRNISFLFUPUFXOG-UHFFFAOYSA-N
XLogP6.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.79
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544074
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66537107
4-[[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 66537037
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66543495
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536502
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536988
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine
CID 66537056
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-fluoroaniline
CID 66543744
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid
CID 66543621

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide (CID 66543586) is N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide is COc1ccc(Br)c(CNc2ccc(NC(C)=O)cc2)c1OCc1c(F)cccc1Cl.
What is the InChIKey of N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide?
The InChIKey is RNISFLFUPUFXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN2O3/c1-14(29)28-16-8-6-15(7-9-16)27-12-17-19(24)10-11-22(30-2)23(17)31-13-18-20(25)4-3-5-21(18)26/h3-11,27H,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide?
N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide has a molecular weight of 507.79 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 66543586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).