(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide

C16H19ClN2O3 — CID 118780562

IUPAC(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCCc1oc2c(Cl)cc(NC(=O)N3CC[C@@H](O)C3)cc2c1C
InChIInChI=1S/C16H19ClN2O3/c1-3-14-9(2)12-6-10(7-13(17)15(12)22-14)18-16(21)19-5-4-11(20)8-19/h6-7,11,20H,3-5,8H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyRFXDCNPWKAFRLF-LLVKDONJSA-N
MW322.79 g/mol
LogP3.56
Rot. Bonds2

About (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 118780562) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID118780562
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCCc1oc2c(Cl)cc(NC(=O)N3CC[C@@H](O)C3)cc2c1C
InChIInChI=1S/C16H19ClN2O3/c1-3-14-9(2)12-6-10(7-13(17)15(12)22-14)18-16(21)19-5-4-11(20)8-19/h6-7,11,20H,3-5,8H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyRFXDCNPWKAFRLF-LLVKDONJSA-N
XLogP3.56
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 129372498
(6R)-N-(5-chloro-2-ethyl-3-methyl-1-benzofuran-7-yl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97435157
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
(3S)-N-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 71992250
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide (CID 118780562) is (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide is CCc1oc2c(Cl)cc(NC(=O)N3CC[C@@H](O)C3)cc2c1C.
What is the InChIKey of (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is RFXDCNPWKAFRLF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-14-9(2)12-6-10(7-13(17)15(12)22-14)18-16(21)19-5-4-11(20)8-19/h6-7,11,20H,3-5,8H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 118780562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).