4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide

C16H27BrN2O — CID 43641393

IUPAC4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(Br)cn1CCC
InChIInChI=1S/C16H27BrN2O/c1-4-7-10-18(11-8-5-2)16(20)15-12-14(17)13-19(15)9-6-3/h12-13H,4-11H2,1-3H3
InChIKeyJMJHRYBNPTXVSC-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.70
Rot. Bonds9

About 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide

4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide (PubChem CID 43641393) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
PubChem CID43641393
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(Br)cn1CCC
InChIInChI=1S/C16H27BrN2O/c1-4-7-10-18(11-8-5-2)16(20)15-12-14(17)13-19(15)9-6-3/h12-13H,4-11H2,1-3H3
InChIKeyJMJHRYBNPTXVSC-UHFFFAOYSA-N
XLogP4.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 60956424
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-(1-cyanopropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 63224601
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide (CID 43641393) is 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide is CCCCN(CCCC)C(=O)c1cc(Br)cn1CCC.
What is the InChIKey of 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide?
The InChIKey is JMJHRYBNPTXVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O/c1-4-7-10-18(11-8-5-2)16(20)15-12-14(17)13-19(15)9-6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide?
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).