[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone

C19H16ClNO — CID 11289849

IUPAC[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
SMILESCCn1cc(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClNO/c1-2-21-12-17(14-8-10-16(20)11-9-14)18(13-21)19(22)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyVVNRVCCDAIVOSJ-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.06
Rot. Bonds4

About [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone

[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone (PubChem CID 11289849) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
PubChem CID11289849
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
SMILESCCn1cc(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClNO/c1-2-21-12-17(14-8-10-16(20)11-9-14)18(13-21)19(22)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyVVNRVCCDAIVOSJ-UHFFFAOYSA-N
XLogP5.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]-phenylmethanone
CID 11151401
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
CID 19021727
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
CID 174504769
4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
CID 14739396
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208
[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155565588
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
CID 102414300
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone (CID 11289849) is [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone is CCn1cc(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone?
The InChIKey is VVNRVCCDAIVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-2-21-12-17(14-8-10-16(20)11-9-14)18(13-21)19(22)15-6-4-3-5-7-15/h3-13H,2H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone?
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone has a molecular weight of 309.80 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 11289849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).