N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C15H20ClFN2O — CID 11623560

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYRGCYAJUEHMWAR-ZDUSSCGKSA-N
MW298.79 g/mol
LogP2.83
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11623560) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11623560
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYRGCYAJUEHMWAR-ZDUSSCGKSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
(3S)-3-[(2-chloro-4-fluorophenyl)methyl-propan-2-ylamino]pyrrolidine-1-carboxylic acid
CID 69059840
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119778587

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11623560) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is YRGCYAJUEHMWAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 298.79 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11623560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).