2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide

C21H25ClN2O3 — CID 113179396

IUPAC2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-4-13-23-21(26)14-24(16(2)25)19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyUCRCVQHBLVSABO-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.19
Rot. Bonds9

About 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide

2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide (PubChem CID 113179396) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
PubChem CID113179396
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-3-4-13-23-21(26)14-24(16(2)25)19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyUCRCVQHBLVSABO-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
CID 113158789
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
CID 113181217

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide?
The IUPAC name of 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide (CID 113179396) is 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide?
The canonical SMILES for 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide is CCCCNC(=O)CN(C(C)=O)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide?
The InChIKey is UCRCVQHBLVSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-4-13-23-21(26)14-24(16(2)25)19-9-11-20(12-10-19)27-15-17-5-7-18(22)8-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide?
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide has a molecular weight of 388.90 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide is sourced from PubChem (CID 113179396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).