3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole

C16H14ClN — CID 57315459

IUPAC3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole
SMILESClc1ccc(C2=CCNC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H14ClN/c17-14-6-7-15(13-8-9-18-11-13)16(10-14)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2
InChIKeyPRGSZGQDOVJQOB-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole

3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole (PubChem CID 57315459) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole
PubChem CID57315459
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole
SMILESClc1ccc(C2=CCNC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H14ClN/c17-14-6-7-15(13-8-9-18-11-13)16(10-14)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2
InChIKeyPRGSZGQDOVJQOB-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole
CID 90702914
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
CID 170343063
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
4-chloro-2-phenylbenzoic acid
CID 11424784
2-(5-chloro-2-phenylphenyl)-1H-imidazole-5-carbaldehyde
CID 142648580
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole (CID 57315459) is 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole is Clc1ccc(C2=CCNC2)c(-c2ccccc2)c1.
What is the InChIKey of 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is PRGSZGQDOVJQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c17-14-6-7-15(13-8-9-18-11-13)16(10-14)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2.
What are the key properties of 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole?
3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 255.75 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-phenylphenyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 57315459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).