2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone

C12H10ClNO — CID 63748738

IUPAC2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc[nH]c1
InChIInChI=1S/C12H10ClNO/c13-11-3-1-9(2-4-11)7-12(15)10-5-6-14-8-10/h1-6,8,14H,7H2
InChIKeyUNMBUQWKFQPOHW-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone

2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone (PubChem CID 63748738) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
PubChem CID63748738
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc[nH]c1
InChIInChI=1S/C12H10ClNO/c13-11-3-1-9(2-4-11)7-12(15)10-5-6-14-8-10/h1-6,8,14H,7H2
InChIKeyUNMBUQWKFQPOHW-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
2-(4-chlorophenyl)acetate
CID 5460378
2-[4-(azetidin-3-ylidenemethyl)phenyl]-1-(4-chlorophenyl)ethanone
CID 147181912
2-(4-chlorophenyl)acetyl iodide
CID 89264950
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone (CID 63748738) is 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone is O=C(Cc1ccc(Cl)cc1)c1cc[nH]c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone?
The InChIKey is UNMBUQWKFQPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-3-1-9(2-4-11)7-12(15)10-5-6-14-8-10/h1-6,8,14H,7H2.
What are the key properties of 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone?
2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone has a molecular weight of 219.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 63748738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).