2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide

C18H20Cl2N2O2 — CID 54828034

IUPAC2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-3-10-24-17-7-5-4-6-16(17)21-12-18(23)22-13-8-9-14(19)15(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyUDTWRHCEPXACKW-UHFFFAOYSA-N
MW367.28 g/mol
LogP5.22
Rot. Bonds8

About 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide

2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 54828034) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
PubChem CID54828034
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-3-10-24-17-7-5-4-6-16(17)21-12-18(23)22-13-8-9-14(19)15(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyUDTWRHCEPXACKW-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 19187559
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide (CID 54828034) is 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is UDTWRHCEPXACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-2-3-10-24-17-7-5-4-6-16(17)21-12-18(23)22-13-8-9-14(19)15(20)11-13/h4-9,11,21H,2-3,10,12H2,1H3,(H,22,23).
What are the key properties of 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide?
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 367.28 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 54828034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).