4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C19H24BrN3O — CID 78895818

IUPAC4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C19H24BrN3O/c1-13(2)23-12-15(20)11-18(23)19(24)21-17-7-6-16(10-14(17)3)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKeyKDNSIZCCTHNFLG-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.99
Rot. Bonds4

About 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 78895818) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID78895818
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C19H24BrN3O/c1-13(2)23-12-15(20)11-18(23)19(24)21-17-7-6-16(10-14(17)3)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKeyKDNSIZCCTHNFLG-UHFFFAOYSA-N
XLogP4.99
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 8007386
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 78895818) is 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is KDNSIZCCTHNFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-13(2)23-12-15(20)11-18(23)19(24)21-17-7-6-16(10-14(17)3)22-8-4-5-9-22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,21,24).
What are the key properties of 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 78895818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).