2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide

C20H24FN3O3 — CID 51323356

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C20H24FN3O3/c1-2-6-18(19(25)24-27-14-16-7-4-3-5-8-16)23-20(26)22-13-15-9-11-17(21)12-10-15/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeySKGWARNHRDJGEO-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.04
Rot. Bonds9

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide (PubChem CID 51323356) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
PubChem CID51323356
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C20H24FN3O3/c1-2-6-18(19(25)24-27-14-16-7-4-3-5-8-16)23-20(26)22-13-15-9-11-17(21)12-10-15/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeySKGWARNHRDJGEO-UHFFFAOYSA-N
XLogP3.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55503659
N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl-methylamino]-2-methylpropanoic acid
CID 119228249
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
CID 120602332
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide (CID 51323356) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide?
The InChIKey is SKGWARNHRDJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-6-18(19(25)24-27-14-16-7-4-3-5-8-16)23-20(26)22-13-15-9-11-17(21)12-10-15/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide has a molecular weight of 373.43 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide is sourced from PubChem (CID 51323356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).