(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C17H21ClN2O4 — CID 97307000

IUPAC(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(Cl)c1O
InChIInChI=1S/C17H21ClN2O4/c1-2-24-14-9-10(8-12(18)15(14)21)17(23)20-7-3-4-13(20)16(22)19-11-5-6-11/h8-9,11,13,21H,2-7H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyDICGVBQCQHOPFR-ZDUSSCGKSA-N
MW352.82 g/mol
LogP2.33
Rot. Bonds5

About (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 97307000) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID97307000
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(Cl)c1O
InChIInChI=1S/C17H21ClN2O4/c1-2-24-14-9-10(8-12(18)15(14)21)17(23)20-7-3-4-13(20)16(22)19-11-5-6-11/h8-9,11,13,21H,2-7H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyDICGVBQCQHOPFR-ZDUSSCGKSA-N
XLogP2.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
N-cyclopropyl-1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 60733404
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134045871
1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 107074446
(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
(3-chloro-4-hydroxy-5-methoxyphenyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 155951053
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061700
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
1-(3,4-dichlorobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167790919

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 97307000) is (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is CCOc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc(Cl)c1O.
What is the InChIKey of (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is DICGVBQCQHOPFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-2-24-14-9-10(8-12(18)15(14)21)17(23)20-7-3-4-13(20)16(22)19-11-5-6-11/h8-9,11,13,21H,2-7H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chloro-5-ethoxy-4-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97307000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).