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

C16H22Cl2N2O — CID 44578041

IUPACN-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(13-6-7-19-9-13)10-11-4-5-12(17)8-14(11)18/h4-5,8,13,19H,6-7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyUHXIHVPCQYVYLG-ZDUSSCGKSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 44578041) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID44578041
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(13-6-7-19-9-13)10-11-4-5-12(17)8-14(11)18/h4-5,8,13,19H,6-7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyUHXIHVPCQYVYLG-ZDUSSCGKSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.73
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]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 44578041) is N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is UHXIHVPCQYVYLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(13-6-7-19-9-13)10-11-4-5-12(17)8-14(11)18/h4-5,8,13,19H,6-7,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 3 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]-2,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 44578041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).