N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide

C15H16FN3O3 — CID 166216968

IUPACN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCc1c[nH]c(=O)[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-9(10-3-2-4-12(16)6-10)5-13(20)17-7-11-8-18-15(22)19-14(11)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyOEFYTZVXCYGYNX-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.01
Rot. Bonds5

About N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide

N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide (PubChem CID 166216968) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide
PubChem CID166216968
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCc1c[nH]c(=O)[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C15H16FN3O3/c1-9(10-3-2-4-12(16)6-10)5-13(20)17-7-11-8-18-15(22)19-14(11)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyOEFYTZVXCYGYNX-UHFFFAOYSA-N
XLogP1.01
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
CID 166331433
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619584
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
CID 97317190
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
(2S)-2-[[2-[3-(3-fluorophenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695191
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide?
The IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide (CID 166216968) is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide.
What is the SMILES notation for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide?
The canonical SMILES for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide is CC(CC(=O)NCc1c[nH]c(=O)[nH]c1=O)c1cccc(F)c1.
What is the InChIKey of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide?
The InChIKey is OEFYTZVXCYGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9(10-3-2-4-12(16)6-10)5-13(20)17-7-11-8-18-15(22)19-14(11)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide?
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide has a molecular weight of 305.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide is sourced from PubChem (CID 166216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).