(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C15H19ClN2O2 — CID 125440613

IUPAC(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1C=CCN1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)20-14-6-5-12(16)8-11(14)9-18-15(19)13-4-3-7-17-13/h3-6,8,10,13,17H,7,9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyBEHBUKCZOHGLEQ-CYBMUJFWSA-N
MW294.78 g/mol
LogP2.27
Rot. Bonds5

About (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125440613) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125440613
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1C=CCN1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)20-14-6-5-12(16)8-11(14)9-18-15(19)13-4-3-7-17-13/h3-6,8,10,13,17H,7,9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyBEHBUKCZOHGLEQ-CYBMUJFWSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125440627
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
acetic acid;(1S,3R,4R)-3-amino-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 155938513
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
CID 134068694
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
CID 125435853
N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carboxamide
CID 122568828
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125440613) is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1C=CCN1.
What is the InChIKey of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is BEHBUKCZOHGLEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)20-14-6-5-12(16)8-11(14)9-18-15(19)13-4-3-7-17-13/h3-6,8,10,13,17H,7,9H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125440613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).