4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

C16H18BrN3O2 — CID 51217574

IUPAC4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)c[nH]2)c1C
InChIInChI=1S/C16H18BrN3O2/c1-10-5-4-6-13(11(10)2)19-15(21)9-20(3)16(22)14-7-12(17)8-18-14/h4-8,18H,9H2,1-3H3,(H,19,21)
InChIKeyZXFUAZBVRFCMBR-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 51217574) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID51217574
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)c[nH]2)c1C
InChIInChI=1S/C16H18BrN3O2/c1-10-5-4-6-13(11(10)2)19-15(21)9-20(3)16(22)14-7-12(17)8-18-14/h4-8,18H,9H2,1-3H3,(H,19,21)
InChIKeyZXFUAZBVRFCMBR-UHFFFAOYSA-N
XLogP3.10
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dibromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-indole-3-carboxamide
CID 134040947
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
5-(4-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpentanamide
CID 55757962
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 51217574) is 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)c[nH]2)c1C.
What is the InChIKey of 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZXFUAZBVRFCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-10-5-4-6-13(11(10)2)19-15(21)9-20(3)16(22)14-7-12(17)8-18-14/h4-8,18H,9H2,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51217574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).