4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide

C14H21BrN2O — CID 43641514

IUPAC4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(Br)cn1CCC)C1CC1
InChIInChI=1S/C14H21BrN2O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8H2,1-2H3
InChIKeyWRFCDMYKWCUFHL-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.68
Rot. Bonds6

About 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide

4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide (PubChem CID 43641514) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
PubChem CID43641514
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc(Br)cn1CCC)C1CC1
InChIInChI=1S/C14H21BrN2O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8H2,1-2H3
InChIKeyWRFCDMYKWCUFHL-UHFFFAOYSA-N
XLogP3.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
CID 63636908
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 60956424
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide (CID 43641514) is 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide is CCCN(C(=O)c1cc(Br)cn1CCC)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
The InChIKey is WRFCDMYKWCUFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-7-16-10-11(15)9-13(16)14(18)17(8-4-2)12-5-6-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide?
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide is sourced from PubChem (CID 43641514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).