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

C15H19ClN2O2 — CID 121197665

IUPACN-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(OCC2CC2)C1
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
MW294.78 g/mol
LogP3.37
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 294.78 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 Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(OCC2CC2)C1
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
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 121022748
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
(3S,3aS,6aS)-N-(2-chlorophenyl)-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119878
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459

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 O=C(Nc1ccccc1Cl)N1CCC(OCC2CC2)C1.
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 294.78 g/mol, XLogP of 3.37, 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).