1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H21BrN2O3 — CID 43639874

IUPAC1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cc(Br)cc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21BrN2O3/c1-2-8-18-10-11(16)9-12(18)13(19)17-15(14(20)21)6-4-3-5-7-15/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKALJFKROAUEBLZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.18
Rot. Bonds5

About 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43639874) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43639874
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cc(Br)cc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21BrN2O3/c1-2-8-18-10-11(16)9-12(18)13(19)17-15(14(20)21)6-4-3-5-7-15/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKALJFKROAUEBLZ-UHFFFAOYSA-N
XLogP3.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114116420
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350928
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43638907
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43639874) is 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCn1cc(Br)cc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KALJFKROAUEBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-2-8-18-10-11(16)9-12(18)13(19)17-15(14(20)21)6-4-3-5-7-15/h9-10H,2-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 357.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43639874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).