N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide

C15H18Cl2N2O — CID 11580456

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
InChIKeyABWNRPAQIBGXIY-ZDUSSCGKSA-N
MW313.23 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 11580456) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID11580456
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
InChIKeyABWNRPAQIBGXIY-ZDUSSCGKSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide (CID 11580456) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is ABWNRPAQIBGXIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 313.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11580456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).