4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide

C11H8Cl3N3O — CID 43643281

IUPAC4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C11H8Cl3N3O/c12-5-1-7(13)10(8(14)2-5)17-11(18)9-3-6(15)4-16-9/h1-4,16H,15H2,(H,17,18)
InChIKeyJUVNPGVGFYTLQK-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.81
Rot. Bonds2

About 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643281) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43643281
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C11H8Cl3N3O/c12-5-1-7(13)10(8(14)2-5)17-11(18)9-3-6(15)4-16-9/h1-4,16H,15H2,(H,17,18)
InChIKeyJUVNPGVGFYTLQK-UHFFFAOYSA-N
XLogP3.81
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43643197
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43642713
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 82830406
4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114052776
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide (CID 43643281) is 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JUVNPGVGFYTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c12-5-1-7(13)10(8(14)2-5)17-11(18)9-3-6(15)4-16-9/h1-4,16H,15H2,(H,17,18).
What are the key properties of 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 304.56 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).