N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide

C19H22FN3O3 — CID 78855212

IUPACN-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCC(=O)N(CCO)Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c20-17-8-6-15(7-9-17)12-21-19(26)22-13-18(25)23(10-11-24)14-16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H2,21,22,26)
InChIKeyKCSODXQWBKKZAG-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.65
Rot. Bonds8

About N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide (PubChem CID 78855212) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
PubChem CID78855212
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCC(=O)N(CCO)Cc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c20-17-8-6-15(7-9-17)12-21-19(26)22-13-18(25)23(10-11-24)14-16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H2,21,22,26)
InChIKeyKCSODXQWBKKZAG-UHFFFAOYSA-N
XLogP1.65
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 86864868
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 38045516
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86989035
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide (CID 78855212) is N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide is O=C(NCC(=O)N(CCO)Cc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is KCSODXQWBKKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-17-8-6-15(7-9-17)12-21-19(26)22-13-18(25)23(10-11-24)14-16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H2,21,22,26).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 359.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).