2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide

C22H20Cl3N3O3 — CID 86302715

IUPAC2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C22H20Cl3N3O3/c1-22(2,12-29)28-20(30)14-10-26-21(27-11-14)31-19(13-3-5-15(23)6-4-13)17-8-7-16(24)9-18(17)25/h3-11,19,29H,12H2,1-2H3,(H,28,30)
InChIKeyIEPLVGYYKXSDHZ-UHFFFAOYSA-N
MW480.78 g/mol
LogP5.11
Rot. Bonds7

About 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide

2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 86302715) has the molecular formula C22H20Cl3N3O3 and a molecular weight of 480.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID86302715
Molecular FormulaC22H20Cl3N3O3
Molecular Weight480.78 g/mol
Exact Mass479.06
IUPAC Name2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C22H20Cl3N3O3/c1-22(2,12-29)28-20(30)14-10-26-21(27-11-14)31-19(13-3-5-15(23)6-4-13)17-8-7-16(24)9-18(17)25/h3-11,19,29H,12H2,1-2H3,(H,28,30)
InChIKeyIEPLVGYYKXSDHZ-UHFFFAOYSA-N
XLogP5.11
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide
CID 66558271
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate
CID 86304914
6-amino-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 110000831
5-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 142720957
6-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridin-3-amine
CID 142720961
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448
2-[[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 70810951
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrazole-3-carboxamide
CID 146001161
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (CID 86302715) is 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is CC(C)(CO)NC(=O)c1cnc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is IEPLVGYYKXSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O3/c1-22(2,12-29)28-20(30)14-10-26-21(27-11-14)31-19(13-3-5-15(23)6-4-13)17-8-7-16(24)9-18(17)25/h3-11,19,29H,12H2,1-2H3,(H,28,30).
What are the key properties of 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 480.78 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 86302715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).