2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide

C31H22Cl2N2O4S — CID 67166325

IUPAC2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(c1ccccc1OCc1ccccc1Cl)N(C(=O)c1ccccc1OCc1ccccc1Cl)c1nccs1
InChIInChI=1S/C31H22Cl2N2O4S/c32-25-13-5-1-9-21(25)19-38-27-15-7-3-11-23(27)29(36)35(31-34-17-18-40-31)30(37)24-12-4-8-16-28(24)39-20-22-10-2-6-14-26(22)33/h1-18H,19-20H2
InChIKeyDWYSNASORFVZCW-UHFFFAOYSA-N
MW589.50 g/mol
LogP8.10
Rot. Bonds9

About 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide

2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 67166325) has the molecular formula C31H22Cl2N2O4S and a molecular weight of 589.50 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID67166325
Molecular FormulaC31H22Cl2N2O4S
Molecular Weight589.50 g/mol
Exact Mass588.07
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(c1ccccc1OCc1ccccc1Cl)N(C(=O)c1ccccc1OCc1ccccc1Cl)c1nccs1
InChIInChI=1S/C31H22Cl2N2O4S/c32-25-13-5-1-9-21(25)19-38-27-15-7-3-11-23(27)29(36)35(31-34-17-18-40-31)30(37)24-12-4-8-16-28(24)39-20-22-10-2-6-14-26(22)33/h1-18H,19-20H2
InChIKeyDWYSNASORFVZCW-UHFFFAOYSA-N
XLogP8.10
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.50
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide
CID 69154073
6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 67166963
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate
CID 134033396
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide
CID 35576771
2-methoxy-N-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 68547683
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 67166325) is 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide is O=C(c1ccccc1OCc1ccccc1Cl)N(C(=O)c1ccccc1OCc1ccccc1Cl)c1nccs1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is DWYSNASORFVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Cl2N2O4S/c32-25-13-5-1-9-21(25)19-38-27-15-7-3-11-23(27)29(36)35(31-34-17-18-40-31)30(37)24-12-4-8-16-28(24)39-20-22-10-2-6-14-26(22)33/h1-18H,19-20H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide?
2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 589.50 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 67166325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).