4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide

C14H16BrClN2OS — CID 60955577

IUPAC4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C14H16BrClN2OS/c1-3-17-8-10(15)7-12(17)14(19)18(4-2)9-11-5-6-13(16)20-11/h5-8H,3-4,9H2,1-2H3
InChIKeyGKAJUNQGIRWKBM-UHFFFAOYSA-N
MW375.72 g/mol
LogP4.65
Rot. Bonds5

About 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide (PubChem CID 60955577) has the molecular formula C14H16BrClN2OS and a molecular weight of 375.72 g/mol. Its IUPAC name is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
PubChem CID60955577
Molecular FormulaC14H16BrClN2OS
Molecular Weight375.72 g/mol
Exact Mass373.99
IUPAC Name4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cn1CC
InChIInChI=1S/C14H16BrClN2OS/c1-3-17-8-10(15)7-12(17)14(19)18(4-2)9-11-5-6-13(16)20-11/h5-8H,3-4,9H2,1-2H3
InChIKeyGKAJUNQGIRWKBM-UHFFFAOYSA-N
XLogP4.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.72
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
3-(5-bromo-2-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 60562828
4-bromo-N,N-bis(cyanomethyl)-1-ethylpyrrole-2-carboxamide
CID 43640915
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
CID 112811138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide (CID 60955577) is 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide?
The InChIKey is GKAJUNQGIRWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2OS/c1-3-17-8-10(15)7-12(17)14(19)18(4-2)9-11-5-6-13(16)20-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide?
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide has a molecular weight of 375.72 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).