(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone

C14H17BrClNO — CID 103826985

IUPAC(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C14H17BrClNO/c1-2-3-10-4-5-17(9-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyFJFLZEPQTOMQMH-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.36
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 103826985) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID103826985
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C14H17BrClNO/c1-2-3-10-4-5-17(9-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyFJFLZEPQTOMQMH-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3,5-dichlorophenyl)methanone
CID 114801176
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone (CID 103826985) is (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is FJFLZEPQTOMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-2-3-10-4-5-17(9-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 330.65 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103826985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).