(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

C15H20ClN3O2 — CID 91836434

IUPAC(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H20ClN3O2/c1-10-11(16)4-2-5-12(10)18-14(20)7-9-19-8-3-6-13(19)15(17)21/h2,4-5,13H,3,6-9H2,1H3,(H2,17,21)(H,18,20)/t13-/m1/s1
InChIKeyFWMRWLLYIDPEES-CYBMUJFWSA-N
MW309.80 g/mol
LogP1.93
Rot. Bonds5

About (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 91836434) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID91836434
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H20ClN3O2/c1-10-11(16)4-2-5-12(10)18-14(20)7-9-19-8-3-6-13(19)15(17)21/h2,4-5,13H,3,6-9H2,1H3,(H2,17,21)(H,18,20)/t13-/m1/s1
InChIKeyFWMRWLLYIDPEES-CYBMUJFWSA-N
XLogP1.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687915
1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908495
(2S)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-2-carboxamide
CID 8675882
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092452
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092451
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 91836434) is (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)CCN1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is FWMRWLLYIDPEES-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-11(16)4-2-5-12(10)18-14(20)7-9-19-8-3-6-13(19)15(17)21/h2,4-5,13H,3,6-9H2,1H3,(H2,17,21)(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91836434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).