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

C16H22Cl2N2O — CID 11529992

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)7-16(21)20(14-5-6-19-9-14)10-12-3-4-13(17)8-15(12)18/h3-4,8,11,14,19H,5-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyANVIRSRIYYSFBV-AWEZNQCLSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide (PubChem CID 11529992) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide
PubChem CID11529992
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)7-16(21)20(14-5-6-19-9-14)10-12-3-4-13(17)8-15(12)18/h3-4,8,11,14,19H,5-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyANVIRSRIYYSFBV-AWEZNQCLSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide (CID 11529992) is N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide is CC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
The InChIKey is ANVIRSRIYYSFBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)7-16(21)20(14-5-6-19-9-14)10-12-3-4-13(17)8-15(12)18/h3-4,8,11,14,19H,5-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide?
N-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 5 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]-3-methyl-N-[(3S)-pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 11529992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).