N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide

C18H18Cl2N2O3 — CID 1361275

IUPACN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-2-4-17(23)21-13-5-3-6-14(10-13)22-18(24)11-25-16-8-7-12(19)9-15(16)20/h3,5-10H,2,4,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVCIXMTOLFWIRLL-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 1361275) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
PubChem CID1361275
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-2-4-17(23)21-13-5-3-6-14(10-13)22-18(24)11-25-16-8-7-12(19)9-15(16)20/h3,5-10H,2,4,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyVCIXMTOLFWIRLL-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
5-bromo-N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 4873374
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide (CID 1361275) is N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is VCIXMTOLFWIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-2-4-17(23)21-13-5-3-6-14(10-13)22-18(24)11-25-16-8-7-12(19)9-15(16)20/h3,5-10H,2,4,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 381.26 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 1361275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).