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

C15H13ClN2O — CID 167843808

IUPAC(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C15H13ClN2O/c16-13-8-14(17-9-13)15(19)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-6,8-9,17H,7,10H2
InChIKeyUUUWJDZDFYZZCN-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.21
Rot. Bonds2

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

(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 167843808) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID167843808
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C15H13ClN2O/c16-13-8-14(17-9-13)15(19)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-6,8-9,17H,7,10H2
InChIKeyUUUWJDZDFYZZCN-UHFFFAOYSA-N
XLogP3.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 166205152
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
(4-iodo-1H-pyrrol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166205124
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 66662142
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
benzyl 3-(4-chlorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 11507904
[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32523893
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 154852634
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 167843808) is (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is O=C(c1cc(Cl)c[nH]1)N1CC=C(c2ccccc2)C1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is UUUWJDZDFYZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-8-14(17-9-13)15(19)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-6,8-9,17H,7,10H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 272.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 167843808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).