2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide

C21H27ClN2O2 — CID 54809292

IUPAC2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C21H27ClN2O2/c1-2-3-4-5-6-13-26-20-12-8-11-19(15-20)24-21(25)16-23-18-10-7-9-17(22)14-18/h7-12,14-15,23H,2-6,13,16H2,1H3,(H,24,25)
InChIKeyLKDKJQXPANSFSN-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.74
Rot. Bonds11

About 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide

2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide (PubChem CID 54809292) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
PubChem CID54809292
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C21H27ClN2O2/c1-2-3-4-5-6-13-26-20-12-8-11-19(15-20)24-21(25)16-23-18-10-7-9-17(22)14-18/h7-12,14-15,23H,2-6,13,16H2,1H3,(H,24,25)
InChIKeyLKDKJQXPANSFSN-UHFFFAOYSA-N
XLogP5.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.74
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

N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide (CID 54809292) is 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide is CCCCCCCOc1cccc(NC(=O)CNc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide?
The InChIKey is LKDKJQXPANSFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-2-3-4-5-6-13-26-20-12-8-11-19(15-20)24-21(25)16-23-18-10-7-9-17(22)14-18/h7-12,14-15,23H,2-6,13,16H2,1H3,(H,24,25).
What are the key properties of 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide?
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide has a molecular weight of 374.91 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide is sourced from PubChem (CID 54809292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).