(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide

C18H21ClN4O4 — CID 11964121

IUPAC(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1NC(=O)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C18H21ClN4O4/c19-11-1-2-14-13(9-11)15(16(27-14)17(20)24)21-18(25)23-4-3-12(10-23)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10H2,(H2,20,24)(H,21,25)/t12-/m1/s1
InChIKeyRUDQNWUQCRPDQU-GFCCVEGCSA-N
MW392.84 g/mol
LogP2.12
Rot. Bonds3

About (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide

(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 11964121) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID11964121
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1NC(=O)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C18H21ClN4O4/c19-11-1-2-14-13(9-11)15(16(27-14)17(20)24)21-18(25)23-4-3-12(10-23)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10H2,(H2,20,24)(H,21,25)/t12-/m1/s1
InChIKeyRUDQNWUQCRPDQU-GFCCVEGCSA-N
XLogP2.12
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
3-[[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374828
3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985087
6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985088
3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374812
3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide
CID 15986092
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]-1-benzofuran-5-carboxylic acid
CID 10239489
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide (CID 11964121) is (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide is NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)N1CC[C@@H](N2CCOCC2)C1.
What is the InChIKey of (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is RUDQNWUQCRPDQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c19-11-1-2-14-13(9-11)15(16(27-14)17(20)24)21-18(25)23-4-3-12(10-23)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10H2,(H2,20,24)(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide?
(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 11964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).