N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide

C15H16BrClN2O — CID 61416672

IUPACN-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H16BrClN2O/c1-3-19-10-12(17)8-14(19)15(20)18(2)9-11-6-4-5-7-13(11)16/h4-8,10H,3,9H2,1-2H3
InChIKeyZMZLDOQOPGKDMZ-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.20
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide

N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 61416672) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID61416672
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H16BrClN2O/c1-3-19-10-12(17)8-14(19)15(20)18(2)9-11-6-4-5-7-13(11)16/h4-8,10H,3,9H2,1-2H3
InChIKeyZMZLDOQOPGKDMZ-UHFFFAOYSA-N
XLogP4.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60955721
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
methyl 4-[(4-chloro-1-ethylpyrrole-2-carbonyl)-methylamino]butanoate
CID 55006063
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
4-[(2-bromophenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993043
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide (CID 61416672) is N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is ZMZLDOQOPGKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-3-19-10-12(17)8-14(19)15(20)18(2)9-11-6-4-5-7-13(11)16/h4-8,10H,3,9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide?
N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 355.66 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61416672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).