(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide

C14H17FN2O4 — CID 128983612

IUPAC(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1F
InChIInChI=1S/C14H17FN2O4/c1-20-9-6-11(13(16)18)17(7-9)14(19)8-3-4-10(15)12(5-8)21-2/h3-5,9,11H,6-7H2,1-2H3,(H2,16,18)/t9-,11-/m0/s1
InChIKeySQNUFRFHFVBJQI-ONGXEEELSA-N
MW296.30 g/mol
LogP0.55
Rot. Bonds4

About (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128983612) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128983612
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1F
InChIInChI=1S/C14H17FN2O4/c1-20-9-6-11(13(16)18)17(7-9)14(19)8-3-4-10(15)12(5-8)21-2/h3-5,9,11H,6-7H2,1-2H3,(H2,16,18)/t9-,11-/m0/s1
InChIKeySQNUFRFHFVBJQI-ONGXEEELSA-N
XLogP0.55
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128984131
(4-fluoro-3-methoxyphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128982637
(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983867
(4-fluoro-3-methoxyphenyl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989413
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534462
(2S,4S)-1-[3-fluoro-5-(trifluoromethyl)benzoyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983742
(2S,4S)-1-(2-chloro-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983598
(2S,4S)-4-methoxy-1-[3-(3-methylbut-2-enoxy)benzoyl]pyrrolidine-2-carboxamide
CID 128983851
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
(2S,4S)-1-(5-bromopyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983596
(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965586

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide (CID 128983612) is (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide is COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1F.
What is the InChIKey of (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SQNUFRFHFVBJQI-ONGXEEELSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-20-9-6-11(13(16)18)17(7-9)14(19)8-3-4-10(15)12(5-8)21-2/h3-5,9,11H,6-7H2,1-2H3,(H2,16,18)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).