(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

C14H16ClFN2O — CID 156604160

IUPAC(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2cc(Cl)ccc2F)CC1C1CC1
InChIInChI=1S/C14H16ClFN2O/c15-9-3-4-12(16)10(5-9)14(19)18-6-11(8-1-2-8)13(17)7-18/h3-5,8,11,13H,1-2,6-7,17H2
InChIKeyALGNQLIDBUWVJK-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.29
Rot. Bonds2

About (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 156604160) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID156604160
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2cc(Cl)ccc2F)CC1C1CC1
InChIInChI=1S/C14H16ClFN2O/c15-9-3-4-12(16)10(5-9)14(19)18-6-11(8-1-2-8)13(17)7-18/h3-5,8,11,13H,1-2,6-7,17H2
InChIKeyALGNQLIDBUWVJK-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
CID 133124417
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3-chloro-2-fluorophenyl)methanone
CID 99823408
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
CID 156604167
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 43596086
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 133118283

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (CID 156604160) is (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is NC1CN(C(=O)c2cc(Cl)ccc2F)CC1C1CC1.
What is the InChIKey of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is ALGNQLIDBUWVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-9-3-4-12(16)10(5-9)14(19)18-6-11(8-1-2-8)13(17)7-18/h3-5,8,11,13H,1-2,6-7,17H2.
What are the key properties of (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 282.75 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 156604160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).