N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide

C16H16ClFN2O2 — CID 54811423

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-2-22-13-6-3-11(4-7-13)19-10-16(21)20-12-5-8-15(18)14(17)9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyICJCDWISMPAUDE-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.93
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide (PubChem CID 54811423) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
PubChem CID54811423
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O2/c1-2-22-13-6-3-11(4-7-13)19-10-16(21)20-12-5-8-15(18)14(17)9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyICJCDWISMPAUDE-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822297
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822742
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966
2-(2,5-difluoroanilino)-N-(4-ethoxyphenyl)acetamide
CID 42069587
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide (CID 54811423) is N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide is CCOc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide?
The InChIKey is ICJCDWISMPAUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-2-22-13-6-3-11(4-7-13)19-10-16(21)20-12-5-8-15(18)14(17)9-12/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide has a molecular weight of 322.77 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide is sourced from PubChem (CID 54811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).