N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide

C15H14F2N4O3 — CID 154870884

IUPACN-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide
SMILESO=C(N[C@@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4O3/c16-10-2-1-8(5-11(10)17)14(23)18-9-3-4-21(7-9)12-6-13(22)20-15(24)19-12/h1-2,5-6,9H,3-4,7H2,(H,18,23)(H2,19,20,22,24)/t9-/m1/s1
InChIKeyCEFAUIJESBKTKZ-SECBINFHSA-N
MW336.30 g/mol
LogP0.35
Rot. Bonds3

About N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide

N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide (PubChem CID 154870884) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide
PubChem CID154870884
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC NameN-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide
SMILESO=C(N[C@@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4O3/c16-10-2-1-8(5-11(10)17)14(23)18-9-3-4-21(7-9)12-6-13(22)20-15(24)19-12/h1-2,5-6,9H,3-4,7H2,(H,18,23)(H2,19,20,22,24)/t9-/m1/s1
InChIKeyCEFAUIJESBKTKZ-SECBINFHSA-N
XLogP0.35
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
2-[(3S)-3-[(3,4-difluorobenzoyl)amino]pyrrolidin-1-yl]benzoyl cyanide
CID 98178982
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91888020

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide (CID 154870884) is N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide is O=C(N[C@@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide?
The InChIKey is CEFAUIJESBKTKZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c16-10-2-1-8(5-11(10)17)14(23)18-9-3-4-21(7-9)12-6-13(22)20-15(24)19-12/h1-2,5-6,9H,3-4,7H2,(H,18,23)(H2,19,20,22,24)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide?
N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide has a molecular weight of 336.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 154870884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).