N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide

C26H16Cl4N2O3 — CID 3396392

IUPACN-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C26H16Cl4N2O3/c27-19-3-1-5-21(23(19)29)31-25(33)15-7-11-17(12-8-15)35-18-13-9-16(10-14-18)26(34)32-22-6-2-4-20(28)24(22)30/h1-14H,(H,31,33)(H,32,34)
InChIKeyGHRHXNDOKUKKFI-UHFFFAOYSA-N
MW546.24 g/mol
LogP8.60
Rot. Bonds6

About N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide

N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide (PubChem CID 3396392) has the molecular formula C26H16Cl4N2O3 and a molecular weight of 546.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
PubChem CID3396392
Molecular FormulaC26H16Cl4N2O3
Molecular Weight546.24 g/mol
Exact Mass543.99
IUPAC NameN-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C26H16Cl4N2O3/c27-19-3-1-5-21(23(19)29)31-25(33)15-7-11-17(12-8-15)35-18-13-9-16(10-14-18)26(34)32-22-6-2-4-20(28)24(22)30/h1-14H,(H,31,33)(H,32,34)
InChIKeyGHRHXNDOKUKKFI-UHFFFAOYSA-N
XLogP8.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.24
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
CID 78843025
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069
4-(2-amino-2-oxoethyl)-N-(2,3-dichlorophenyl)benzamide
CID 14883992
N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide (CID 3396392) is N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide?
The InChIKey is GHRHXNDOKUKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl4N2O3/c27-19-3-1-5-21(23(19)29)31-25(33)15-7-11-17(12-8-15)35-18-13-9-16(10-14-18)26(34)32-22-6-2-4-20(28)24(22)30/h1-14H,(H,31,33)(H,32,34).
What are the key properties of N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide?
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide has a molecular weight of 546.24 g/mol, XLogP of 8.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 3396392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).