(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

C18H18FN3O2 — CID 1443127

IUPAC(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-13-6-4-9-15(12-13)21-18(24)22-11-5-10-16(22)17(23)20-14-7-2-1-3-8-14/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyBLUOGXOVGXWOKJ-INIZCTEOSA-N
MW327.36 g/mol
LogP3.46
Rot. Bonds3

About (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 1443127) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID1443127
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-13-6-4-9-15(12-13)21-18(24)22-11-5-10-16(22)17(23)20-14-7-2-1-3-8-14/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyBLUOGXOVGXWOKJ-INIZCTEOSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide (CID 1443127) is (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is BLUOGXOVGXWOKJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-6-4-9-15(12-13)21-18(24)22-11-5-10-16(22)17(23)20-14-7-2-1-3-8-14/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).