N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C15H21ClN2O — CID 44578077

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyPMWLMRLBVALWMX-ZDUSSCGKSA-N
MW280.80 g/mol
LogP2.69
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 44578077) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID44578077
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyPMWLMRLBVALWMX-ZDUSSCGKSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 44578077) is N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is PMWLMRLBVALWMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 280.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 44578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).