N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

C18H23BrN2O2 — CID 55741021

IUPACN-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C18H23BrN2O2/c19-14-8-4-9-15(12-14)20-17(22)16-10-5-11-21(16)18(23)13-6-2-1-3-7-13/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,20,22)
InChIKeyMDYCBEOZWBYYKP-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.96
Rot. Bonds3

About N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 55741021) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID55741021
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC NameN-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C18H23BrN2O2/c19-14-8-4-9-15(12-14)20-17(22)16-10-5-11-21(16)18(23)13-6-2-1-3-7-13/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,20,22)
InChIKeyMDYCBEOZWBYYKP-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 95350172
(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 52538335
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507
(2S)-1-[(3-bromophenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 9235389
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
4-(azepane-1-carbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide
CID 9237940
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 55741021) is N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(Br)c1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MDYCBEOZWBYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c19-14-8-4-9-15(12-14)20-17(22)16-10-5-11-21(16)18(23)13-6-2-1-3-7-13/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,20,22).
What are the key properties of N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55741021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).