[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone

C18H16ClNO — CID 127053040

IUPAC[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC=CC2)cc1-c1ccccc1Cl
InChIInChI=1S/C18H16ClNO/c1-13-8-9-14(18(21)20-10-4-5-11-20)12-16(13)15-6-2-3-7-17(15)19/h2-9,12H,10-11H2,1H3
InChIKeyZRFFQNUCWAFOSS-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.33
Rot. Bonds2

About [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone

[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 127053040) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID127053040
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCc1ccc(C(=O)N2CC=CC2)cc1-c1ccccc1Cl
InChIInChI=1S/C18H16ClNO/c1-13-8-9-14(18(21)20-10-4-5-11-20)12-16(13)15-6-2-3-7-17(15)19/h2-9,12H,10-11H2,1H3
InChIKeyZRFFQNUCWAFOSS-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
Bibx-79
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(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-p-tolyl-methanone
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N-benzyl-N,2-dimethylbenzamide
CID 779170
N-Benzyl-4-chloro-N-methylbenzamide
CID 306478
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
[2-chloro-4-(2-methylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890440
N1-(2-(aminomethyl)-5-chlorobenzyl)-N3,N3-diisobutyl-5-methylisophthalamide
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2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
CID 2234904

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone (CID 127053040) is [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone is Cc1ccc(C(=O)N2CC=CC2)cc1-c1ccccc1Cl.
What is the InChIKey of [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is ZRFFQNUCWAFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13-8-9-14(18(21)20-10-4-5-11-20)12-16(13)15-6-2-3-7-17(15)19/h2-9,12H,10-11H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone?
[3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 297.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-4-methylphenyl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 127053040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).