(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide

C18H19ClN2O2 — CID 124594929

IUPAC(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-3-4-13(10-15)12-23-17-7-2-1-6-16(17)21-18(22)14-8-9-20-11-14/h1-7,10,14,20H,8-9,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyZJHWETGXMGEFLR-AWEZNQCLSA-N
MW330.82 g/mol
LogP3.47
Rot. Bonds5

About (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide

(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 124594929) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID124594929
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H19ClN2O2/c19-15-5-3-4-13(10-15)12-23-17-7-2-1-6-16(17)21-18(22)14-8-9-20-11-14/h1-7,10,14,20H,8-9,11-12H2,(H,21,22)/t14-/m0/s1
InChIKeyZJHWETGXMGEFLR-AWEZNQCLSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
3-[2-[(3-chlorophenyl)methoxy]anilino]pyrrolidin-2-one
CID 126778663
N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 154888171
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide (CID 124594929) is (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZJHWETGXMGEFLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-5-3-4-13(10-15)12-23-17-7-2-1-6-16(17)21-18(22)14-8-9-20-11-14/h1-7,10,14,20H,8-9,11-12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124594929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).