(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone

C14H19ClN2O — CID 113416770

IUPAC(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-3-10-6-7-17(9-10)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,2-3,6-7,9,16H2,1H3
InChIKeyBRGQWHRMYRXGPO-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.18
Rot. Bonds3

About (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone

(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 113416770) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID113416770
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-3-10-6-7-17(9-10)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,2-3,6-7,9,16H2,1H3
InChIKeyBRGQWHRMYRXGPO-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 114801684
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone (CID 113416770) is (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2ccc(N)c(Cl)c2)C1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is BRGQWHRMYRXGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-3-10-6-7-17(9-10)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,2-3,6-7,9,16H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone?
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).