(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone

C17H15Cl2NO — CID 42934940

IUPAC(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC1c1ccccc1
InChIInChI=1S/C17H15Cl2NO/c18-13-8-9-15(19)14(11-13)17(21)20-10-4-7-16(20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16H,4,7,10H2
InChIKeyKYWVGHZRKHPFIN-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.97
Rot. Bonds2

About (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone

(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 42934940) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID42934940
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC1c1ccccc1
InChIInChI=1S/C17H15Cl2NO/c18-13-8-9-15(19)14(11-13)17(21)20-10-4-7-16(20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16H,4,7,10H2
InChIKeyKYWVGHZRKHPFIN-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 30417532
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 51937265
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965
(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 24658230
(2-chloro-5-methylsulfanylphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766798
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 42934940) is (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCCC1c1ccccc1.
What is the InChIKey of (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is KYWVGHZRKHPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-8-9-15(19)14(11-13)17(21)20-10-4-7-16(20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16H,4,7,10H2.
What are the key properties of (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone?
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 320.22 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).