(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone

C19H16ClNO — CID 177375481

IUPAC(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
SMILESCc1ccc(Cn2cccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-4-6-15(7-5-14)13-21-12-2-3-18(21)19(22)16-8-10-17(20)11-9-16/h2-12H,13H2,1H3
InChIKeyXBRYNDNFWHGTSU-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.73
Rot. Bonds4

About (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone

(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone (PubChem CID 177375481) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
PubChem CID177375481
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
SMILESCc1ccc(Cn2cccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-4-6-15(7-5-14)13-21-12-2-3-18(21)19(22)16-8-10-17(20)11-9-16/h2-12H,13H2,1H3
InChIKeyXBRYNDNFWHGTSU-UHFFFAOYSA-N
XLogP4.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 59430754
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 71083233
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 24711857
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
N-(5-chloro-2-pyridinyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124066
N-(3-chloro-4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124133
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124086
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
CID 138397986
[1-[(E)-3-(4-chloro-3-hydroxyphenyl)prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 89258991
(4-ethylphenyl)-(1-prop-2-enylpyrrol-2-yl)methanone
CID 23117004
tert-butyl 5-chloro-2-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-ynyl]benzoate
CID 23033135
3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 25069118

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone (CID 177375481) is (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone is Cc1ccc(Cn2cccc2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone?
The InChIKey is XBRYNDNFWHGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-14-4-6-15(7-5-14)13-21-12-2-3-18(21)19(22)16-8-10-17(20)11-9-16/h2-12H,13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone?
(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone has a molecular weight of 309.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone is sourced from PubChem (CID 177375481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).