N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide

C14H14BrClN2O — CID 107583826

IUPACN-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H14BrClN2O/c1-3-18-8-11(16)7-13(18)14(19)17-12-5-9(2)4-10(15)6-12/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyMXTBBTHFTFDWQX-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.48
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide

N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 107583826) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID107583826
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC NameN-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H14BrClN2O/c1-3-18-8-11(16)7-13(18)14(19)17-12-5-9(2)4-10(15)6-12/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyMXTBBTHFTFDWQX-UHFFFAOYSA-N
XLogP4.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398429
N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 114051836
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 146106273

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 107583826) is N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is MXTBBTHFTFDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-3-18-8-11(16)7-13(18)14(19)17-12-5-9(2)4-10(15)6-12/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 341.64 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 107583826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).