N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide

C14H19BrN2O — CID 63140591

IUPACN-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)c(C)c2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-3-14(6-7-16-9-14)13(18)17-11-4-5-12(15)10(2)8-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyOGOARQZWLIADRF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.09
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63140591) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63140591
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(Br)c(C)c2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-3-14(6-7-16-9-14)13(18)17-11-4-5-12(15)10(2)8-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyOGOARQZWLIADRF-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide (CID 63140591) is N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(Br)c(C)c2)CCNC1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is OGOARQZWLIADRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-3-14(6-7-16-9-14)13(18)17-11-4-5-12(15)10(2)8-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).