N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C16H23ClN2O — CID 106980234

IUPACN-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11(2)16(7-8-18-10-16)15(20)19-12(3)13-5-4-6-14(17)9-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyGUVIQOSWPOZLEF-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980234) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980234
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11(2)16(7-8-18-10-16)15(20)19-12(3)13-5-4-6-14(17)9-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3,(H,19,20)
InChIKeyGUVIQOSWPOZLEF-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 24595897

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980234) is N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GUVIQOSWPOZLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(2)16(7-8-18-10-16)15(20)19-12(3)13-5-4-6-14(17)9-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).