N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide

C21H17Cl2NO2 — CID 4956327

IUPACN-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2/c22-19-11-8-17(14-20(19)23)24-21(25)16-6-9-18(10-7-16)26-13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyQFOQCKZXLBUILP-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.87
Rot. Bonds6

About N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide

N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide (PubChem CID 4956327) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
PubChem CID4956327
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2/c22-19-11-8-17(14-20(19)23)24-21(25)16-6-9-18(10-7-16)26-13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyQFOQCKZXLBUILP-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887594
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
6-chloro-N-[4-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 171836519

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide (CID 4956327) is N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide?
The InChIKey is QFOQCKZXLBUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-19-11-8-17(14-20(19)23)24-21(25)16-6-9-18(10-7-16)26-13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide?
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 4956327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).