N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide

C12H15BrN2O2 — CID 71982759

IUPACN-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-8-9(4-5-10(11)13)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyFNYQDFJCRJCELX-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.09
Rot. Bonds2

About N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide

N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 71982759) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID71982759
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-17-11-8-9(4-5-10(11)13)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyFNYQDFJCRJCELX-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
(2S)-1-[(4-bromo-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82859934
5-(azocane-1-carbonylamino)-2-bromobenzoic acid
CID 115296680
2-bromo-5-(piperidine-1-carbonylamino)benzoic acid
CID 115295940
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
(1S,4S)-N-(4-bromo-3-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98345787

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 71982759) is N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is FNYQDFJCRJCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-11-8-9(4-5-10(11)13)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71982759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).