N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide

C14H19BrN2O — CID 55164937

IUPACN-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(Br)c2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-6-14(7-8-16-10-14)13(18)17-12-5-3-4-11(15)9-12/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18)
InChIKeyBCHFGFQCAYKTQY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.17
Rot. Bonds4

About N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide

N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55164937) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55164937
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(Br)c2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-6-14(7-8-16-10-14)13(18)17-12-5-3-4-11(15)9-12/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18)
InChIKeyBCHFGFQCAYKTQY-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
CID 63141667
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide (CID 55164937) is N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cccc(Br)c2)CCNC1.
What is the InChIKey of N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is BCHFGFQCAYKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-6-14(7-8-16-10-14)13(18)17-12-5-3-4-11(15)9-12/h3-5,9,16H,2,6-8,10H2,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide?
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55164937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).