N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 81354852

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1
InChIKeyFFWTVUMZSOYHKE-ZRKZCGFPSA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 81354852) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID81354852
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1
InChIKeyFFWTVUMZSOYHKE-ZRKZCGFPSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (CID 81354852) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is FFWTVUMZSOYHKE-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81354852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).