4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide

C13H13BrClN3O — CID 104722153

IUPAC4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)cn2C)cc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-7-3-9(14)11(5-10(7)15)17-13(19)12-4-8(16)6-18(12)2/h3-6H,16H2,1-2H3,(H,17,19)
InChIKeyDTFBGDYNNFVPNZ-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.58
Rot. Bonds2

About 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 104722153) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID104722153
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)cn2C)cc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-7-3-9(14)11(5-10(7)15)17-13(19)12-4-8(16)6-18(12)2/h3-6H,16H2,1-2H3,(H,17,19)
InChIKeyDTFBGDYNNFVPNZ-UHFFFAOYSA-N
XLogP3.58
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104724216
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 113445673
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
4-amino-N-(4-bromo-2-cyanophenyl)-1-methylpyrrole-2-carboxamide
CID 82702967
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 104722153) is 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide is Cc1cc(Br)c(NC(=O)c2cc(N)cn2C)cc1Cl.
What is the InChIKey of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is DTFBGDYNNFVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-7-3-9(14)11(5-10(7)15)17-13(19)12-4-8(16)6-18(12)2/h3-6H,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 342.62 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104722153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).