(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone

C15H16ClNO — CID 16664749

IUPAC(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone
SMILESCCc1cn(C(=O)c2ccc(Cl)cc2)cc1CC
InChIInChI=1S/C15H16ClNO/c1-3-11-9-17(10-12(11)4-2)15(18)13-5-7-14(16)8-6-13/h5-10H,3-4H2,1-2H3
InChIKeyBNLLRWSBGDTGII-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.95
Rot. Bonds3

About (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone

(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone (PubChem CID 16664749) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone
PubChem CID16664749
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone
SMILESCCc1cn(C(=O)c2ccc(Cl)cc2)cc1CC
InChIInChI=1S/C15H16ClNO/c1-3-11-9-17(10-12(11)4-2)15(18)13-5-7-14(16)8-6-13/h5-10H,3-4H2,1-2H3
InChIKeyBNLLRWSBGDTGII-UHFFFAOYSA-N
XLogP3.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone
CID 16664938
2-amino-1-(4-chlorophenyl)butan-1-one
CID 2831614
(2S)-2-amino-1-(4-chlorophenyl)butan-1-one
CID 779152
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(4-chlorophenyl)-3-(diethylamino)prop-2-yn-1-one
CID 134922740
(4-chlorophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 713907
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
1-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propane-1,3-dione
CID 102810662
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(7-butyl-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone
CID 67736278

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone (CID 16664749) is (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone is CCc1cn(C(=O)c2ccc(Cl)cc2)cc1CC.
What is the InChIKey of (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone?
The InChIKey is BNLLRWSBGDTGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-3-11-9-17(10-12(11)4-2)15(18)13-5-7-14(16)8-6-13/h5-10H,3-4H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone?
(4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone has a molecular weight of 261.75 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,4-diethylpyrrol-1-yl)methanone is sourced from PubChem (CID 16664749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).