(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide

C19H22FN3O2 — CID 124865976

IUPAC(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide
SMILESC[C@H](CC(=O)N[C@H]1CCC[C@H]1n1ccnc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c1-13(19(25)14-4-2-5-15(20)11-14)10-18(24)22-16-6-3-7-17(16)23-9-8-21-12-23/h2,4-5,8-9,11-13,16-17H,3,6-7,10H2,1H3,(H,22,24)/t13-,16+,17-/m1/s1
InChIKeyJFIUMZFGCHZTND-XOKHGSTOSA-N
MW343.40 g/mol
LogP3.14
Rot. Bonds6

About (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide

(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide (PubChem CID 124865976) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide
PubChem CID124865976
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide
SMILESC[C@H](CC(=O)N[C@H]1CCC[C@H]1n1ccnc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c1-13(19(25)14-4-2-5-15(20)11-14)10-18(24)22-16-6-3-7-17(16)23-9-8-21-12-23/h2,4-5,8-9,11-13,16-17H,3,6-7,10H2,1H3,(H,22,24)/t13-,16+,17-/m1/s1
InChIKeyJFIUMZFGCHZTND-XOKHGSTOSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide?
The IUPAC name of (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide (CID 124865976) is (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide.
What is the SMILES notation for (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide?
The canonical SMILES for (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide is C[C@H](CC(=O)N[C@H]1CCC[C@H]1n1ccnc1)C(=O)c1cccc(F)c1.
What is the InChIKey of (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide?
The InChIKey is JFIUMZFGCHZTND-XOKHGSTOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(19(25)14-4-2-5-15(20)11-14)10-18(24)22-16-6-3-7-17(16)23-9-8-21-12-23/h2,4-5,8-9,11-13,16-17H,3,6-7,10H2,1H3,(H,22,24)/t13-,16+,17-/m1/s1.
What are the key properties of (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide?
(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide has a molecular weight of 343.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide is sourced from PubChem (CID 124865976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).