4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

C19H15Br2Cl2N5O3 — CID 145498284

IUPAC4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCONN(C)C(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl
InChIInChI=1S/C19H15Br2Cl2N5O3/c1-27(26-31-2)19(30)12-7-11(22)8-13(21)16(12)25-18(29)15-6-10(20)9-28(15)17-14(23)4-3-5-24-17/h3-9,26H,1-2H3,(H,25,29)
InChIKeyGDLIDGYISMTGHG-UHFFFAOYSA-N
MW592.08 g/mol
LogP5.09
Rot. Bonds6

About 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 145498284) has the molecular formula C19H15Br2Cl2N5O3 and a molecular weight of 592.08 g/mol. Its IUPAC name is 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID145498284
Molecular FormulaC19H15Br2Cl2N5O3
Molecular Weight592.08 g/mol
Exact Mass588.89
IUPAC Name4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCONN(C)C(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl
InChIInChI=1S/C19H15Br2Cl2N5O3/c1-27(26-31-2)19(30)12-7-11(22)8-13(21)16(12)25-18(29)15-6-10(20)9-28(15)17-14(23)4-3-5-24-17/h3-9,26H,1-2H3,(H,25,29)
InChIKeyGDLIDGYISMTGHG-UHFFFAOYSA-N
XLogP5.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.08
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[3,5-dibromo-2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]carbamate
CID 59286947
methyl N-[[5-chloro-2-[[4-chloro-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-3-methylbenzoyl]amino]carbamate
CID 59286838
[[3,5-dibromo-2-[[4-bromo-1-(3-bromo-2-pyridinyl)pyrrole-2-carbonyl]amino]benzoyl]amino]-methoxyazanide;yttrium
CID 145498281
[[2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-5-cyano-3-methylbenzoyl]amino]azanide;yttrium
CID 145498240
4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 141367096
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
ethane;methyl N-[[5-chloro-2-[[1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carbonyl]amino]-3-methylbenzoyl]amino]-N-methoxycarbonylcarbamate
CID 143476046
N-[2-bromo-4-chloro-6-(methoxycarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(thietan-3-yloxy)pyrazole-5-carboxamide
CID 139371190
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
ethyl N-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl]-methylamino]carbamate
CID 59286902
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
CID 143438822

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (CID 145498284) is 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is CONN(C)C(=O)c1cc(Cl)cc(Br)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl.
What is the InChIKey of 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is GDLIDGYISMTGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2Cl2N5O3/c1-27(26-31-2)19(30)12-7-11(22)8-13(21)16(12)25-18(29)15-6-10(20)9-28(15)17-14(23)4-3-5-24-17/h3-9,26H,1-2H3,(H,25,29).
What are the key properties of 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 592.08 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-bromo-4-chloro-6-[(methoxyamino)-methylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 145498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).