(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H21ClN2O4 — CID 31151033

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O
InChIInChI=1S/C19H21ClN2O4/c1-12-4-6-15(26-12)11-21(2)19(24)13-8-18(23)22(10-13)16-9-14(20)5-7-17(16)25-3/h4-7,9,13H,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyKDIOTLOZDFEHKN-CYBMUJFWSA-N
MW376.84 g/mol
LogP3.26
Rot. Bonds5

About (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 31151033) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID31151033
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O
InChIInChI=1S/C19H21ClN2O4/c1-12-4-6-15(26-12)11-21(2)19(24)13-8-18(23)22(10-13)16-9-14(20)5-7-17(16)25-3/h4-7,9,13H,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyKDIOTLOZDFEHKN-CYBMUJFWSA-N
XLogP3.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983
1-(5-chloro-2-methoxyphenyl)-N-[(3-cyanophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55579461
1-(2-methoxy-5-methylphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55641877
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55594663
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206435
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46566218
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55575180
methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 31151033) is (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KDIOTLOZDFEHKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12-4-6-15(26-12)11-21(2)19(24)13-8-18(23)22(10-13)16-9-14(20)5-7-17(16)25-3/h4-7,9,13H,8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 31151033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).