N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide

C23H21Cl3N2O3 — CID 66540435

IUPACN-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl3N2O3/c1-14(29)28-17-8-6-16(7-9-17)27-12-15-10-22(30-2)23(11-21(15)26)31-13-18-19(24)4-3-5-20(18)25/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyCBYUMYYODNGHLB-UHFFFAOYSA-N
MW479.79 g/mol
LogP6.80
Rot. Bonds8

About N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide

N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide (PubChem CID 66540435) has the molecular formula C23H21Cl3N2O3 and a molecular weight of 479.79 g/mol. Its IUPAC name is N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
PubChem CID66540435
Molecular FormulaC23H21Cl3N2O3
Molecular Weight479.79 g/mol
Exact Mass478.06
IUPAC NameN-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
SMILESCOc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H21Cl3N2O3/c1-14(29)28-17-8-6-16(7-9-17)27-12-15-10-22(30-2)23(11-21(15)26)31-13-18-19(24)4-3-5-20(18)25/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyCBYUMYYODNGHLB-UHFFFAOYSA-N
XLogP6.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.79
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methoxyaniline
CID 66540309
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
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
N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585
2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222
N-[4-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544074
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513
4-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540451
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dichloroaniline
CID 66542887

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide (CID 66540435) is N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide is COc1cc(CNc2ccc(NC(C)=O)cc2)c(Cl)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
The InChIKey is CBYUMYYODNGHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O3/c1-14(29)28-17-8-6-16(7-9-17)27-12-15-10-22(30-2)23(11-21(15)26)31-13-18-19(24)4-3-5-20(18)25/h3-11,27H,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide?
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide has a molecular weight of 479.79 g/mol, XLogP of 6.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 66540435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).