4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide

C14H14BrClN2O2 — CID 47267908

IUPAC4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-2-5-20-13-4-3-10(7-11(13)16)18-14(19)12-6-9(15)8-17-12/h3-4,6-8,17H,2,5H2,1H3,(H,18,19)
InChIKeyUMENIRLNHOBOGJ-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.47
Rot. Bonds5

About 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 47267908) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID47267908
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-2-5-20-13-4-3-10(7-11(13)16)18-14(19)12-6-9(15)8-17-12/h3-4,6-8,17H,2,5H2,1H3,(H,18,19)
InChIKeyUMENIRLNHOBOGJ-UHFFFAOYSA-N
XLogP4.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
4,5-dibromo-N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 80534123
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide (CID 47267908) is 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide is CCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cl.
What is the InChIKey of 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is UMENIRLNHOBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-2-5-20-13-4-3-10(7-11(13)16)18-14(19)12-6-9(15)8-17-12/h3-4,6-8,17H,2,5H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 357.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47267908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).