3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C18H18Cl2FN3O — CID 11999088

IUPAC3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESNC1CN(C(=O)NCc2cccc(F)c2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FN3O/c19-12-4-5-14(16(20)7-12)15-9-24(10-17(15)22)18(25)23-8-11-2-1-3-13(21)6-11/h1-7,15,17H,8-10,22H2,(H,23,25)
InChIKeyQNVPHHIXMGIKDT-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.77
Rot. Bonds3

About 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide

3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 11999088) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID11999088
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC Name3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESNC1CN(C(=O)NCc2cccc(F)c2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FN3O/c19-12-4-5-14(16(20)7-12)15-9-24(10-17(15)22)18(25)23-8-11-2-1-3-13(21)6-11/h1-7,15,17H,8-10,22H2,(H,23,25)
InChIKeyQNVPHHIXMGIKDT-UHFFFAOYSA-N
XLogP3.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 11999088) is 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide is NC1CN(C(=O)NCc2cccc(F)c2)CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is QNVPHHIXMGIKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c19-12-4-5-14(16(20)7-12)15-9-24(10-17(15)22)18(25)23-8-11-2-1-3-13(21)6-11/h1-7,15,17H,8-10,22H2,(H,23,25).
What are the key properties of 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 11999088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).