N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide

C16H18BrClN2O — CID 81288414

IUPACN-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C16H18BrClN2O/c1-3-7-20-10-13(18)9-15(20)16(21)19-14-6-5-12(17)8-11(14)4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyOJDMAHKDQLTRAT-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.13
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide

N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide (PubChem CID 81288414) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
PubChem CID81288414
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C16H18BrClN2O/c1-3-7-20-10-13(18)9-15(20)16(21)19-14-6-5-12(17)8-11(14)4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyOJDMAHKDQLTRAT-UHFFFAOYSA-N
XLogP5.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 65498938
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethylbenzoic acid
CID 166349980
N-(4-bromo-2-ethylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 80999065
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
CID 104877038

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide (CID 81288414) is N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The InChIKey is OJDMAHKDQLTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-3-7-20-10-13(18)9-15(20)16(21)19-14-6-5-12(17)8-11(14)4-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide has a molecular weight of 369.69 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 81288414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).