N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide

C21H18ClFN2O2 — CID 109038759

IUPACN-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c22-19-14-16(8-11-20(19)23)25-21(26)12-13-24-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,14,24H,12-13H2,(H,25,26)
InChIKeyUIBOPHZOOBUKQX-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.71
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide (PubChem CID 109038759) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
PubChem CID109038759
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide
SMILESO=C(CCNc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c22-19-14-16(8-11-20(19)23)25-21(26)12-13-24-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,14,24H,12-13H2,(H,25,26)
InChIKeyUIBOPHZOOBUKQX-UHFFFAOYSA-N
XLogP5.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822742
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
methyl 3-[3-(4-phenoxyanilino)propanoylamino]benzoate
CID 109041391
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide (CID 109038759) is N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide is O=C(CCNc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide?
The InChIKey is UIBOPHZOOBUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c22-19-14-16(8-11-20(19)23)25-21(26)12-13-24-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,14,24H,12-13H2,(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(4-phenoxyanilino)propanamide has a molecular weight of 384.84 g/mol, XLogP of 5.71, 7 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)-3-(4-phenoxyanilino)propanamide is sourced from PubChem (CID 109038759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).