N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C28H26Cl2N2O3 — CID 71492470

IUPACN-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N2O3/c1-17-14-23(30)10-13-25(17)28(21-6-8-22(29)9-7-21)31-27(33)15-20-4-11-24(12-5-20)34-16-26-18(2)32-35-19(26)3/h4-14,28H,15-16H2,1-3H3,(H,31,33)
InChIKeyGVOXWGMETKSNNT-UHFFFAOYSA-N
MW509.43 g/mol
LogP6.93
Rot. Bonds8

About N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 71492470) has the molecular formula C28H26Cl2N2O3 and a molecular weight of 509.43 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID71492470
Molecular FormulaC28H26Cl2N2O3
Molecular Weight509.43 g/mol
Exact Mass508.13
IUPAC NameN-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(Cl)ccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H26Cl2N2O3/c1-17-14-23(30)10-13-25(17)28(21-6-8-22(29)9-7-21)31-27(33)15-20-4-11-24(12-5-20)34-16-26-18(2)32-35-19(26)3/h4-14,28H,15-16H2,1-3H3,(H,31,33)
InChIKeyGVOXWGMETKSNNT-UHFFFAOYSA-N
XLogP6.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.43
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 71492470) is N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1cc(Cl)ccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is GVOXWGMETKSNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O3/c1-17-14-23(30)10-13-25(17)28(21-6-8-22(29)9-7-21)31-27(33)15-20-4-11-24(12-5-20)34-16-26-18(2)32-35-19(26)3/h4-14,28H,15-16H2,1-3H3,(H,31,33).
What are the key properties of N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 509.43 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)-(4-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 71492470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).