N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide

C18H18FN3O2 — CID 35755455

IUPACN-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1=NCCCN1c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-24-16-9-3-2-8-15(16)17(23)21-18-20-10-5-11-22(18)14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,23)
InChIKeyLEAHNQXXCSNZMW-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide

N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide (PubChem CID 35755455) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide
PubChem CID35755455
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1=NCCCN1c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-24-16-9-3-2-8-15(16)17(23)21-18-20-10-5-11-22(18)14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,23)
InChIKeyLEAHNQXXCSNZMW-UHFFFAOYSA-N
XLogP2.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
N-[1-(4-bromophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-chlorobenzamide
CID 35754615
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
4-(3-fluorophenyl)-9-(2-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986050
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
CID 43971122
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide (CID 35755455) is N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1=NCCCN1c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide?
The InChIKey is LEAHNQXXCSNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-24-16-9-3-2-8-15(16)17(23)21-18-20-10-5-11-22(18)14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21,23).
What are the key properties of N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide?
N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide has a molecular weight of 327.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 35755455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).