N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide

C16H24ClN3O — CID 124758966

IUPACN-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide
SMILESCN(C)[C@H]1CCN(CCC(=O)NCc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-19(2)15-6-8-20(12-15)9-7-16(21)18-11-13-4-3-5-14(17)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyZYDHSXNLFAWHRE-HNNXBMFYSA-N
MW309.84 g/mol
LogP1.98
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide (PubChem CID 124758966) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide
PubChem CID124758966
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide
SMILESCN(C)[C@H]1CCN(CCC(=O)NCc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O/c1-19(2)15-6-8-20(12-15)9-7-16(21)18-11-13-4-3-5-14(17)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyZYDHSXNLFAWHRE-HNNXBMFYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 25011732
CID 25011732
CID 11232124
CID 11232124
CID 3235606
CID 3235606
CID 44237081
CID 44237081
CID 11232123
CID 11232123
CID 20968164
CID 20968164
CID 44237086
CID 44237086
CID 42615253
CID 42615253
CID 10019118
CID 10019118
CID 10403949
CID 10403949
CID 11450265
CID 11450265
CID 11450266
CID 11450266

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide (CID 124758966) is N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide is CN(C)[C@H]1CCN(CCC(=O)NCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide?
The InChIKey is ZYDHSXNLFAWHRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-19(2)15-6-8-20(12-15)9-7-16(21)18-11-13-4-3-5-14(17)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide has a molecular weight of 309.84 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124758966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).