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

C16H23ClN2O — CID 81372776

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-11-16)15(20)19-12(2)13-5-4-6-14(17)10-13/h4-6,10,12,18H,3,7-9,11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1
InChIKeyHJGRQARPARXXQP-ZGTOLYCTSA-N
MW294.83 g/mol
LogP3.30
Rot. Bonds5

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 81372776) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID81372776
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccc(Cl)c2)CCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-11-16)15(20)19-12(2)13-5-4-6-14(17)10-13/h4-6,10,12,18H,3,7-9,11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1
InChIKeyHJGRQARPARXXQP-ZGTOLYCTSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (CID 81372776) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N[C@H](C)c2cccc(Cl)c2)CCNC1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is HJGRQARPARXXQP-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-11-16)15(20)19-12(2)13-5-4-6-14(17)10-13/h4-6,10,12,18H,3,7-9,11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81372776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).