N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide

C16H23BrN2O — CID 81359507

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-8-16(9-10-18-11-16)15(20)19-12(2)13-4-6-14(17)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1
InChIKeyILJPYZJHSABZSK-ZGTOLYCTSA-N
MW339.28 g/mol
LogP3.41
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 81359507) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID81359507
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-8-16(9-10-18-11-16)15(20)19-12(2)13-4-6-14(17)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1
InChIKeyILJPYZJHSABZSK-ZGTOLYCTSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
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
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81352100
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide (CID 81359507) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N[C@H](C)c2ccc(Br)cc2)CCNC1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is ILJPYZJHSABZSK-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-8-16(9-10-18-11-16)15(20)19-12(2)13-4-6-14(17)7-5-13/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,20)/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81359507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).