2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide

C18H21ClN2O2 — CID 54827839

IUPAC2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-2-3-12-23-17-7-5-4-6-16(17)20-13-18(22)21-15-10-8-14(19)9-11-15/h4-11,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeySCLCONZAYYGWFZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.57
Rot. Bonds8

About 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide

2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide (PubChem CID 54827839) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
PubChem CID54827839
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-2-3-12-23-17-7-5-4-6-16(17)20-13-18(22)21-15-10-8-14(19)9-11-15/h4-11,20H,2-3,12-13H2,1H3,(H,21,22)
InChIKeySCLCONZAYYGWFZ-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.57
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-propoxyphenyl)acetamide
CID 54828232
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
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
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782
2-(2-butoxyanilino)-N-ethylacetamide
CID 54828166
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide (CID 54827839) is 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide?
The InChIKey is SCLCONZAYYGWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-3-12-23-17-7-5-4-6-16(17)20-13-18(22)21-15-10-8-14(19)9-11-15/h4-11,20H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide?
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.57, 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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 54827839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).