N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide

C14H10BrCl2FN2O — CID 107612539

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H10BrCl2FN2O/c15-10-4-8(18)5-11(17)13(10)19-14(21)12-3-7(16)6-20(12)9-1-2-9/h3-6,9H,1-2H2,(H,19,21)
InChIKeyRRIDISNZQDIQKX-UHFFFAOYSA-N
MW392.06 g/mol
LogP5.28
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 107612539) has the molecular formula C14H10BrCl2FN2O and a molecular weight of 392.06 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
PubChem CID107612539
Molecular FormulaC14H10BrCl2FN2O
Molecular Weight392.06 g/mol
Exact Mass389.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H10BrCl2FN2O/c15-10-4-8(18)5-11(17)13(10)19-14(21)12-3-7(16)6-20(12)9-1-2-9/h3-6,9H,1-2H2,(H,19,21)
InChIKeyRRIDISNZQDIQKX-UHFFFAOYSA-N
XLogP5.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.06
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 61401000
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 107611969
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568
4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43640338
4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62812529
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
CID 107611945
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107609255

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide (CID 107612539) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cc(Cl)cn1C1CC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is RRIDISNZQDIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FN2O/c15-10-4-8(18)5-11(17)13(10)19-14(21)12-3-7(16)6-20(12)9-1-2-9/h3-6,9H,1-2H2,(H,19,21).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 392.06 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 107612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).