N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide

C16H19ClN2O — CID 110691270

IUPACN-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C16H19ClN2O/c1-11-10-15(12(2)19(11)3)16(20)18-9-8-13-4-6-14(17)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyDKFBIPATJOGWQX-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 110691270) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID110691270
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C16H19ClN2O/c1-11-10-15(12(2)19(11)3)16(20)18-9-8-13-4-6-14(17)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyDKFBIPATJOGWQX-UHFFFAOYSA-N
XLogP3.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-(4-aminophenyl)ethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119548699
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 110691270) is N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c(C)n1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is DKFBIPATJOGWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-10-15(12(2)19(11)3)16(20)18-9-8-13-4-6-14(17)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 110691270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).