(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C16H15ClN2O — CID 167748506

IUPAC(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCn1cc(Cl)cc1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C16H15ClN2O/c1-18-11-14(17)9-15(18)16(20)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3
InChIKeyLFGFXTVZLFHPAD-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.22
Rot. Bonds2

About (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 167748506) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID167748506
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCn1cc(Cl)cc1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C16H15ClN2O/c1-18-11-14(17)9-15(18)16(20)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3
InChIKeyLFGFXTVZLFHPAD-UHFFFAOYSA-N
XLogP3.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808
(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166254361
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 136521683
1-(4-chloro-1-methylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146867
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 66662142
[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22519198
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
3-[4-(4-chloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43522122
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 167748506) is (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is Cn1cc(Cl)cc1C(=O)N1CC=C(c2ccccc2)C1.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is LFGFXTVZLFHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-18-11-14(17)9-15(18)16(20)19-8-7-13(10-19)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 167748506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).