N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C26H20Cl2N2O4 — CID 4841213

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C26H20Cl2N2O4/c1-15-21(16(2)34-30-15)14-33-24-10-6-4-8-19(24)26(32)29-23-12-11-17(27)13-20(23)25(31)18-7-3-5-9-22(18)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyZJQNLXROMDVLDQ-UHFFFAOYSA-N
MW495.36 g/mol
LogP6.66
Rot. Bonds7

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 4841213) has the molecular formula C26H20Cl2N2O4 and a molecular weight of 495.36 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID4841213
Molecular FormulaC26H20Cl2N2O4
Molecular Weight495.36 g/mol
Exact Mass494.08
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C26H20Cl2N2O4/c1-15-21(16(2)34-30-15)14-33-24-10-6-4-8-19(24)26(32)29-23-12-11-17(27)13-20(23)25(31)18-7-3-5-9-22(18)28/h3-13H,14H2,1-2H3,(H,29,32)
InChIKeyZJQNLXROMDVLDQ-UHFFFAOYSA-N
XLogP6.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.36
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30476401
N-[4-(4-chloropyrazol-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097272
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 4841213) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is ZJQNLXROMDVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O4/c1-15-21(16(2)34-30-15)14-33-24-10-6-4-8-19(24)26(32)29-23-12-11-17(27)13-20(23)25(31)18-7-3-5-9-22(18)28/h3-13H,14H2,1-2H3,(H,29,32).
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 495.36 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 4841213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).