N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide

C25H24Cl3NO2 — CID 66558271

IUPACN-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C)ccc1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H24Cl3NO2/c1-15-13-17(24(30)29-25(2,3)4)7-12-22(15)31-23(16-5-8-18(26)9-6-16)20-11-10-19(27)14-21(20)28/h5-14,23H,1-4H3,(H,29,30)
InChIKeyDADYCZLFUQSFFX-UHFFFAOYSA-N
MW476.83 g/mol
LogP7.65
Rot. Bonds5

About N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide

N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide (PubChem CID 66558271) has the molecular formula C25H24Cl3NO2 and a molecular weight of 476.83 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide
PubChem CID66558271
Molecular FormulaC25H24Cl3NO2
Molecular Weight476.83 g/mol
Exact Mass475.09
IUPAC NameN-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)C)ccc1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H24Cl3NO2/c1-15-13-17(24(30)29-25(2,3)4)7-12-22(15)31-23(16-5-8-18(26)9-6-16)20-11-10-19(27)14-21(20)28/h5-14,23H,1-4H3,(H,29,30)
InChIKeyDADYCZLFUQSFFX-UHFFFAOYSA-N
XLogP7.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(2,4-dimethylphenyl)-(4-methylphenyl)methoxy]-4-fluorobenzamide
CID 163913276
methyl (2S)-1-[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzoyl]pyrrolidine-2-carboxylate
CID 70811119
2-[[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 70810951
2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
CID 86302715
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
methyl 3-[[[4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-methylbenzoyl]amino]methyl]-1,3-thiazolidine-4-carboxylate
CID 66558273
4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline
CID 88990967
4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 66558004
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
5-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 142720957
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide?
The IUPAC name of N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide (CID 66558271) is N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide.
What is the SMILES notation for N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide?
The canonical SMILES for N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide is Cc1cc(C(=O)NC(C)(C)C)ccc1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide?
The InChIKey is DADYCZLFUQSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3NO2/c1-15-13-17(24(30)29-25(2,3)4)7-12-22(15)31-23(16-5-8-18(26)9-6-16)20-11-10-19(27)14-21(20)28/h5-14,23H,1-4H3,(H,29,30).
What are the key properties of N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide?
N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide has a molecular weight of 476.83 g/mol, XLogP of 7.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide is sourced from PubChem (CID 66558271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).