N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide

C15H19ClN2O2 — CID 121197665

IUPACN-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESC1CC1COC2CCN(C2)C(=O)NC3=CC=CC=C3Cl
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-2-4-14(13)17-15(19)18-8-7-12(9-18)20-10-11-5-6-11/h1-4,11-12H,5-10H2,(H,17,19)
InChIKeyNGKZADSHEVHOJD-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.50
Rot. Bonds4

About N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide

N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide (PubChem CID 121197665) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
PubChem CID121197665
Molecular FormulaC15H19ClN2O2
Molecular Weight294.77 g/mol
Exact Mass294.11
IUPAC NameN-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESC1CC1COC2CCN(C2)C(=O)NC3=CC=CC=C3Cl
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-2-4-14(13)17-15(19)18-8-7-12(9-18)20-10-11-5-6-11/h1-4,11-12H,5-10H2,(H,17,19)
InChIKeyNGKZADSHEVHOJD-UHFFFAOYSA-N
XLogP2.50
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity349

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide (CID 121197665) is N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide is C1CC1COC2CCN(C2)C(=O)NC3=CC=CC=C3Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The InChIKey is NGKZADSHEVHOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-3-1-2-4-14(13)17-15(19)18-8-7-12(9-18)20-10-11-5-6-11/h1-4,11-12H,5-10H2,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide has a molecular weight of 294.77 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121197665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).