N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C17H20ClN3O2 — CID 24614240

IUPACN-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1C
InChIInChI=1S/C17H20ClN3O2/c1-5-21-10(2)8-14(11(21)3)17(23)20-13-6-7-16(15(18)9-13)19-12(4)22/h6-9H,5H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyYRZZIBDVOFZNFD-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.99
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 24614240) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID24614240
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1C
InChIInChI=1S/C17H20ClN3O2/c1-5-21-10(2)8-14(11(21)3)17(23)20-13-6-7-16(15(18)9-13)19-12(4)22/h6-9H,5H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyYRZZIBDVOFZNFD-UHFFFAOYSA-N
XLogP3.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24613983
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
[2-(2,4-dichloroanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911809
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993877
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911939
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 24614240) is N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1C.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YRZZIBDVOFZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-5-21-10(2)8-14(11(21)3)17(23)20-13-6-7-16(15(18)9-13)19-12(4)22/h6-9H,5H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 24614240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).