N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide

C26H27Cl3N2O3 — CID 66540459

IUPACN-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H27Cl3N2O3/c1-4-33-24-12-18(14-30-19-6-8-20(9-7-19)31-26(32)16(2)3)22(28)13-25(24)34-15-17-5-10-21(27)23(29)11-17/h5-13,16,30H,4,14-15H2,1-3H3,(H,31,32)
InChIKeyAUNYTNPAJSKRDB-UHFFFAOYSA-N
MW521.87 g/mol
LogP7.83
Rot. Bonds10

About N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide

N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide (PubChem CID 66540459) has the molecular formula C26H27Cl3N2O3 and a molecular weight of 521.87 g/mol. Its IUPAC name is N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
PubChem CID66540459
Molecular FormulaC26H27Cl3N2O3
Molecular Weight521.87 g/mol
Exact Mass520.11
IUPAC NameN-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H27Cl3N2O3/c1-4-33-24-12-18(14-30-19-6-8-20(9-7-19)31-26(32)16(2)3)22(28)13-25(24)34-15-17-5-10-21(27)23(29)11-17/h5-13,16,30H,4,14-15H2,1-3H3,(H,31,32)
InChIKeyAUNYTNPAJSKRDB-UHFFFAOYSA-N
XLogP7.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.87
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]phenyl]acetamide
CID 66542397
4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzenesulfonamide
CID 66540594
N-[4-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66539785
N-[4-[[2-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]phenyl]acetamide
CID 66540513
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542477
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
CID 66542049
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66541127
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopropanamine
CID 66532073
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
2-chloro-4-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 66542751

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide (CID 66540459) is N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide is CCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The InChIKey is AUNYTNPAJSKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl3N2O3/c1-4-33-24-12-18(14-30-19-6-8-20(9-7-19)31-26(32)16(2)3)22(28)13-25(24)34-15-17-5-10-21(27)23(29)11-17/h5-13,16,30H,4,14-15H2,1-3H3,(H,31,32).
What are the key properties of N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
N-[4-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide has a molecular weight of 521.87 g/mol, XLogP of 7.83, 10 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-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 66540459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).