4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide

C14H9ClF3N3O2 — CID 7303450

IUPAC4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide
SMILESCC1=C(C#N)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C14H9ClF3N3O2/c1-7-10(6-19)13(12(23)20-7,14(16,17)18)21-11(22)8-2-4-9(15)5-3-8/h2-5H,1H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyLPUAUDYMPLRLLO-CYBMUJFWSA-N
MW343.69 g/mol
LogP2.30
Rot. Bonds2

About 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide

4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide (PubChem CID 7303450) has the molecular formula C14H9ClF3N3O2 and a molecular weight of 343.69 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide
PubChem CID7303450
Molecular FormulaC14H9ClF3N3O2
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC Name4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide
SMILESCC1=C(C#N)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C14H9ClF3N3O2/c1-7-10(6-19)13(12(23)20-7,14(16,17)18)21-11(22)8-2-4-9(15)5-3-8/h2-5H,1H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyLPUAUDYMPLRLLO-CYBMUJFWSA-N
XLogP2.30
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide with MolForge

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Related Compounds

N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-4-methylbenzamide
CID 7421302
N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]thiophene-2-carboxamide
CID 7107011
4-[(5-chloro-2-pyridinyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 3598826
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzamide
CID 3892967
(4S)-2-methyl-4-[(5-methylpyridin-1-ium-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 7484869
N-[(5R)-1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-chlorobenzamide
CID 2217217
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
N-[(5S)-1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzamide
CID 7023819
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzamide
CID 4517889
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3748507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide (CID 7303450) is 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide is CC1=C(C#N)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide?
The InChIKey is LPUAUDYMPLRLLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2/c1-7-10(6-19)13(12(23)20-7,14(16,17)18)21-11(22)8-2-4-9(15)5-3-8/h2-5H,1H3,(H,20,23)(H,21,22)/t13-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide?
4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide has a molecular weight of 343.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide is sourced from PubChem (CID 7303450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).