N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide

C15H21ClN2O2 — CID 61214763

IUPACN-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCC(NC(=O)C1CC(OC)CN1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-3-13(10-5-4-6-11(16)7-10)18-15(19)14-8-12(20-2)9-17-14/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyGDWAZWHPWUUDON-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide

N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214763) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214763
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCC(NC(=O)C1CC(OC)CN1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-3-13(10-5-4-6-11(16)7-10)18-15(19)14-8-12(20-2)9-17-14/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyGDWAZWHPWUUDON-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61248362
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
CID 60553202
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
methyl (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylate
CID 26192738
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide (CID 61214763) is N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide is CCC(NC(=O)C1CC(OC)CN1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is GDWAZWHPWUUDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-13(10-5-4-6-11(16)7-10)18-15(19)14-8-12(20-2)9-17-14/h4-7,12-14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).