1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide

C15H17ClFN3O2 — CID 78896653

IUPAC1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O2/c16-11-8-9(17)3-6-12(11)19-15(22)20-7-1-2-13(20)14(21)18-10-4-5-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,18,21)(H,19,22)
InChIKeyLWIAURHJFLSONO-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.75
Rot. Bonds3

About 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide

1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide (PubChem CID 78896653) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
PubChem CID78896653
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O2/c16-11-8-9(17)3-6-12(11)19-15(22)20-7-1-2-13(20)14(21)18-10-4-5-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,18,21)(H,19,22)
InChIKeyLWIAURHJFLSONO-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
1-N-(2,4-dichlorophenyl)-2-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4566008
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061700

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide (CID 78896653) is 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide is O=C(NC1CC1)C1CCCN1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide?
The InChIKey is LWIAURHJFLSONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c16-11-8-9(17)3-6-12(11)19-15(22)20-7-1-2-13(20)14(21)18-10-4-5-10/h3,6,8,10,13H,1-2,4-5,7H2,(H,18,21)(H,19,22).
What are the key properties of 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide?
1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide has a molecular weight of 325.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 78896653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).