N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide

C22H20ClFN2O3 — CID 54822742

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H20ClFN2O3/c23-20-14-17(8-11-21(20)24)26-22(27)15-25-16-6-9-19(10-7-16)29-13-12-28-18-4-2-1-3-5-18/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyNJFTUSOYMBMSAS-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.99
Rot. Bonds9

About N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54822742) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54822742
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H20ClFN2O3/c23-20-14-17(8-11-21(20)24)26-22(27)15-25-16-6-9-19(10-7-16)29-13-12-28-18-4-2-1-3-5-18/h1-11,14,25H,12-13,15H2,(H,26,27)
InChIKeyNJFTUSOYMBMSAS-UHFFFAOYSA-N
XLogP4.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-ethoxyanilino)acetamide
CID 54811423
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
CID 109038759
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide (CID 54822742) is N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide is O=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is NJFTUSOYMBMSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c23-20-14-17(8-11-21(20)24)26-22(27)15-25-16-6-9-19(10-7-16)29-13-12-28-18-4-2-1-3-5-18/h1-11,14,25H,12-13,15H2,(H,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 414.86 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54822742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).