5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide

C34H21Cl6N3O4 — CID 18763446

IUPAC5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OC(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C34H21Cl6N3O4/c35-25-9-6-21(15-28(25)38)41-32(44)19-12-20(33(45)42-22-7-10-26(36)29(39)16-22)14-24(13-19)47-31(18-4-2-1-3-5-18)34(46)43-23-8-11-27(37)30(40)17-23/h1-17,31H,(H,41,44)(H,42,45)(H,43,46)
InChIKeyRAIWKUFHBNUZJQ-UHFFFAOYSA-N
MW748.28 g/mol
LogP10.87
Rot. Bonds9

About 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide

5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 18763446) has the molecular formula C34H21Cl6N3O4 and a molecular weight of 748.28 g/mol. Its IUPAC name is 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
PubChem CID18763446
Molecular FormulaC34H21Cl6N3O4
Molecular Weight748.28 g/mol
Exact Mass744.97
IUPAC Name5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OC(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C34H21Cl6N3O4/c35-25-9-6-21(15-28(25)38)41-32(44)19-12-20(33(45)42-22-7-10-26(36)29(39)16-22)14-24(13-19)47-31(18-4-2-1-3-5-18)34(46)43-23-8-11-27(37)30(40)17-23/h1-17,31H,(H,41,44)(H,42,45)(H,43,46)
InChIKeyRAIWKUFHBNUZJQ-UHFFFAOYSA-N
XLogP10.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.28
LogP ≤ 510.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
(2S)-N-cyclopropyl-2-(3,4-dichlorophenoxy)-2-phenylacetamide
CID 9417632
N-[4-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 21168810
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-cyanophenoxy)-2-phenylacetamide
CID 7433371
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
CID 18268134
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide (CID 18763446) is 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(OC(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is RAIWKUFHBNUZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Cl6N3O4/c35-25-9-6-21(15-28(25)38)41-32(44)19-12-20(33(45)42-22-7-10-26(36)29(39)16-22)14-24(13-19)47-31(18-4-2-1-3-5-18)34(46)43-23-8-11-27(37)30(40)17-23/h1-17,31H,(H,41,44)(H,42,45)(H,43,46).
What are the key properties of 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide?
5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 748.28 g/mol, XLogP of 10.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethoxy]-1-N,3-N-bis(3,4-dichlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 18763446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).