(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide

C15H20ClN3O3 — CID 95137545

IUPAC(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)NCCOCc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c16-13-4-2-1-3-12(13)10-22-8-6-18-15(21)19-7-5-11(9-19)14(17)20/h1-4,11H,5-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyNFHWJQUIHADQPF-NSHDSACASA-N
MW325.80 g/mol
LogP1.37
Rot. Bonds6

About (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide

(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 95137545) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID95137545
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)NCCOCc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c16-13-4-2-1-3-12(13)10-22-8-6-18-15(21)19-7-5-11(9-19)14(17)20/h1-4,11H,5-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyNFHWJQUIHADQPF-NSHDSACASA-N
XLogP1.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.37
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

(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 124700128
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
1-N-(2-naphthalen-1-yloxyethyl)piperidine-1,4-dicarboxamide
CID 56797933
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 156608867
(3R)-1-N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94049302
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide (CID 95137545) is (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@H]1CCN(C(=O)NCCOCc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is NFHWJQUIHADQPF-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-13-4-2-1-3-12(13)10-22-8-6-18-15(21)19-7-5-11(9-19)14(17)20/h1-4,11H,5-10H2,(H2,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide?
(3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[2-[(2-chlorophenyl)methoxy]ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 95137545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).