N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide

C26H28FN3O3 — CID 42726504

IUPACN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-3-13-25(31)28-18-19-30(26(32)29-24-12-8-7-11-23(24)27)20-14-16-22(17-15-20)33-21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyLAAXAECVXJZGBM-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.96
Rot. Bonds10

About N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide

N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide (PubChem CID 42726504) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
PubChem CID42726504
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC NameN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H28FN3O3/c1-2-3-13-25(31)28-18-19-30(26(32)29-24-12-8-7-11-23(24)27)20-14-16-22(17-15-20)33-21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyLAAXAECVXJZGBM-UHFFFAOYSA-N
XLogP5.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide
CID 42725908
1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-3-(2-fluorophenyl)-1-(4-phenoxyphenyl)urea
CID 42725951
3-(2-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 42726113
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42727551
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
2-fluoro-N-[3-[N-[(2-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42707024
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696272
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide?
The IUPAC name of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide (CID 42726504) is N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide?
The canonical SMILES for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide is CCCCC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide?
The InChIKey is LAAXAECVXJZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-3-13-25(31)28-18-19-30(26(32)29-24-12-8-7-11-23(24)27)20-14-16-22(17-15-20)33-21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide?
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide has a molecular weight of 449.53 g/mol, XLogP of 5.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide is sourced from PubChem (CID 42726504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).