(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide

C10H15Cl2FN2O — CID 118218020

IUPAC(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2FN2O/c1-5(7-3-10(7,11)12)15-9(16)8-2-6(13)4-14-8/h5-8,14H,2-4H2,1H3,(H,15,16)/t5-,6-,7-,8+/m1/s1
InChIKeyPNFFLHUMTFJXOR-XUTVFYLZSA-N
MW269.15 g/mol
LogP1.38
Rot. Bonds3

About (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 118218020) has the molecular formula C10H15Cl2FN2O and a molecular weight of 269.15 g/mol. Its IUPAC name is (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID118218020
Molecular FormulaC10H15Cl2FN2O
Molecular Weight269.15 g/mol
Exact Mass268.05
IUPAC Name(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1)[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2FN2O/c1-5(7-3-10(7,11)12)15-9(16)8-2-6(13)4-14-8/h5-8,14H,2-4H2,1H3,(H,15,16)/t5-,6-,7-,8+/m1/s1
InChIKeyPNFFLHUMTFJXOR-XUTVFYLZSA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130835190
(2S,4R)-N-but-3-en-2-yl-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130758011
4-[(1S)-1-[[(2R,4S)-4-fluoropyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 71204704
1-(4-fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 131160678
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
(2R,4R)-N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 129493468
N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 121199959
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130992352
(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428867

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide (CID 118218020) is (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1)[C@H]1CC1(Cl)Cl.
What is the InChIKey of (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is PNFFLHUMTFJXOR-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H15Cl2FN2O/c1-5(7-3-10(7,11)12)15-9(16)8-2-6(13)4-14-8/h5-8,14H,2-4H2,1H3,(H,15,16)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 269.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 118218020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).