(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide

C14H16Cl2N2O3 — CID 95040802

IUPAC(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-2-4-12(10(16)8-9)21-7-1-6-17-14(20)11-3-5-13(19)18-11/h2,4,8,11H,1,3,5-7H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyDONINYQQXUMGIV-NSHDSACASA-N
MW331.20 g/mol
LogP2.16
Rot. Bonds6

About (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95040802) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95040802
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-2-4-12(10(16)8-9)21-7-1-6-17-14(20)11-3-5-13(19)18-11/h2,4,8,11H,1,3,5-7H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyDONINYQQXUMGIV-NSHDSACASA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
CID 119754502
3-(2,4-dichlorophenoxy)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]propanamide
CID 167928916
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646
(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95159054
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide (CID 95040802) is (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)N1.
What is the InChIKey of (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DONINYQQXUMGIV-NSHDSACASA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-2-4-12(10(16)8-9)21-7-1-6-17-14(20)11-3-5-13(19)18-11/h2,4,8,11H,1,3,5-7H2,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,4-dichlorophenoxy)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95040802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).