4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide

C16H27BrN2O — CID 60956424

IUPAC4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
SMILESCCCCCN(C(=O)c1cc(Br)cn1CCC)C(C)C
InChIInChI=1S/C16H27BrN2O/c1-5-7-8-10-19(13(3)4)16(20)15-11-14(17)12-18(15)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyQLZPNAICMIMEPT-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.70
Rot. Bonds8

About 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide

4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide (PubChem CID 60956424) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
PubChem CID60956424
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
SMILESCCCCCN(C(=O)c1cc(Br)cn1CCC)C(C)C
InChIInChI=1S/C16H27BrN2O/c1-5-7-8-10-19(13(3)4)16(20)15-11-14(17)12-18(15)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyQLZPNAICMIMEPT-UHFFFAOYSA-N
XLogP4.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 61106564
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N-(1-cyanopropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 63224601
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide (CID 60956424) is 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide is CCCCCN(C(=O)c1cc(Br)cn1CCC)C(C)C.
What is the InChIKey of 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide?
The InChIKey is QLZPNAICMIMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O/c1-5-7-8-10-19(13(3)4)16(20)15-11-14(17)12-18(15)9-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide?
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60956424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).