N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

C19H22ClFN4O — CID 138996449

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1
InChIInChI=1S/C19H22ClFN4O/c1-24-9-7-22-17(24)13-4-8-25(11-13)18(26)23-12-19(5-6-19)15-3-2-14(21)10-16(15)20/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,26)
InChIKeyYKARVORXRKDDSK-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.44
Rot. Bonds4

About N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 138996449) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID138996449
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1
InChIInChI=1S/C19H22ClFN4O/c1-24-9-7-22-17(24)13-4-8-25(11-13)18(26)23-12-19(5-6-19)15-3-2-14(21)10-16(15)20/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,26)
InChIKeyYKARVORXRKDDSK-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 139001025
1-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123332
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 138996556
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763007
N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
CID 126785962
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719
(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97207431
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 138996449) is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is Cn1ccnc1C1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is YKARVORXRKDDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-24-9-7-22-17(24)13-4-8-25(11-13)18(26)23-12-19(5-6-19)15-3-2-14(21)10-16(15)20/h2-3,7,9-10,13H,4-6,8,11-12H2,1H3,(H,23,26).
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138996449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).