N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide

C16H23BrN2O2 — CID 63139955

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2c(C)cc(Br)cc2OC)CCNC1
InChIInChI=1S/C16H23BrN2O2/c1-4-5-16(6-7-18-10-16)15(20)19-14-11(2)8-12(17)9-13(14)21-3/h8-9,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeySHBYITJITCWNEW-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.48
Rot. Bonds5

About N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139955) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63139955
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2c(C)cc(Br)cc2OC)CCNC1
InChIInChI=1S/C16H23BrN2O2/c1-4-5-16(6-7-18-10-16)15(20)19-14-11(2)8-12(17)9-13(14)21-3/h8-9,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeySHBYITJITCWNEW-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63122221
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 65488896
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide (CID 63139955) is N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2c(C)cc(Br)cc2OC)CCNC1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SHBYITJITCWNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-4-5-16(6-7-18-10-16)15(20)19-14-11(2)8-12(17)9-13(14)21-3/h8-9,18H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).