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

C17H25ClN2O — CID 106979821

IUPACN-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-15(13-6-5-7-14(18)10-13)20-16(21)17(12(2)3)8-9-19-11-17/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H,20,21)
InChIKeyVHYOEYYHUVOXDD-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.54
Rot. Bonds5

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

N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979821) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979821
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-4-15(13-6-5-7-14(18)10-13)20-16(21)17(12(2)3)8-9-19-11-17/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H,20,21)
InChIKeyVHYOEYYHUVOXDD-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
CID 106974342
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 119820003
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979821) is N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CCC(NC(=O)C1(C(C)C)CCNC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VHYOEYYHUVOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-15(13-6-5-7-14(18)10-13)20-16(21)17(12(2)3)8-9-19-11-17/h5-7,10,12,15,19H,4,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).