4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide

C14H19BrN2O2 — CID 54905662

IUPAC4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCCOC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H19BrN2O2/c15-11-6-13(17(8-11)12-3-4-12)14(18)16-7-10-2-1-5-19-9-10/h6,8,10,12H,1-5,7,9H2,(H,16,18)
InChIKeyXYUIWMCMQGKMSM-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.74
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 54905662) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID54905662
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCCOC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H19BrN2O2/c15-11-6-13(17(8-11)12-3-4-12)14(18)16-7-10-2-1-5-19-9-10/h6,8,10,12H,1-5,7,9H2,(H,16,18)
InChIKeyXYUIWMCMQGKMSM-UHFFFAOYSA-N
XLogP2.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
CID 107390208
4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide
CID 63896573
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
methyl 4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoate
CID 61249864
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 113282136
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide (CID 54905662) is 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide is O=C(NCC1CCCOC1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XYUIWMCMQGKMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-11-6-13(17(8-11)12-3-4-12)14(18)16-7-10-2-1-5-19-9-10/h6,8,10,12H,1-5,7,9H2,(H,16,18).
What are the key properties of 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 54905662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).