N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide

C16H13ClFN3O2 — CID 97329341

IUPACN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccncc1
InChIInChI=1S/C16H13ClFN3O2/c17-12-2-1-11(9-13(12)18)21-8-5-14(16(21)23)20-15(22)10-3-6-19-7-4-10/h1-4,6-7,9,14H,5,8H2,(H,20,22)/t14-/m1/s1
InChIKeyHKVWXVYDKCPJLJ-CQSZACIVSA-N
MW333.75 g/mol
LogP2.41
Rot. Bonds3

About N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 97329341) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID97329341
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccncc1
InChIInChI=1S/C16H13ClFN3O2/c17-12-2-1-11(9-13(12)18)21-8-5-14(16(21)23)20-15(22)10-3-6-19-7-4-10/h1-4,6-7,9,14H,5,8H2,(H,20,22)/t14-/m1/s1
InChIKeyHKVWXVYDKCPJLJ-CQSZACIVSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 97329654
N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75395006
N-[(3R)-1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97340463
2-[2-[[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551490
3-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 75436656
2-amino-N-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120993763
1-(4-chloro-3-fluorophenyl)-3-(oxan-4-ylamino)pyrrolidin-2-one
CID 75441668
N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75448375
N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563907
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124588987
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide (CID 97329341) is N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccncc1.
What is the InChIKey of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is HKVWXVYDKCPJLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-12-2-1-11(9-13(12)18)21-8-5-14(16(21)23)20-15(22)10-3-6-19-7-4-10/h1-4,6-7,9,14H,5,8H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97329341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).