(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide

C15H19ClN2O3 — CID 70665653

IUPAC(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2ccc(Cl)cc2)[C@@](C)(C(C)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10(19)15(2)8-13(21-3)9-18(15)14(20)17-12-6-4-11(16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,20)/t13?,15-/m1/s1
InChIKeyMVBBZMNTZDLXLR-AWKYBWMHSA-N
MW310.78 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide

(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide (PubChem CID 70665653) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide
PubChem CID70665653
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2ccc(Cl)cc2)[C@@](C)(C(C)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10(19)15(2)8-13(21-3)9-18(15)14(20)17-12-6-4-11(16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,20)/t13?,15-/m1/s1
InChIKeyMVBBZMNTZDLXLR-AWKYBWMHSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-(4-chlorophenyl)-4-methoxy-2-methyl-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 143526130
(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
CID 89155887
N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
CID 143202416
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
2-[1-[(4-chlorophenyl)carbamoyl]-2-[[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]-4-methoxypyrrolidin-2-yl]acetic acid
CID 68805974
methyl 5-(4-bromophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852243
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 6554401
(2S,4R)-1-[(2,5-dichlorophenyl)methyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 118093525
4-acetyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide (CID 70665653) is (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide is COC1CN(C(=O)Nc2ccc(Cl)cc2)[C@@](C)(C(C)=O)C1.
What is the InChIKey of (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide?
The InChIKey is MVBBZMNTZDLXLR-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(19)15(2)8-13(21-3)9-18(15)14(20)17-12-6-4-11(16)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,17,20)/t13?,15-/m1/s1.
What are the key properties of (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide?
(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70665653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).