N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

C15H21ClN2O — CID 47445976

IUPACN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-11(2)15(19)17-9-12-7-8-18(10-12)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeySCHQOVMWOXGNPH-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.94
Rot. Bonds4

About N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 47445976) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
PubChem CID47445976
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-11(2)15(19)17-9-12-7-8-18(10-12)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeySCHQOVMWOXGNPH-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51094994
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
2-(2,5-dichlorophenyl)sulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853656
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 119860635
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 92987652
1-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 95140290

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide (CID 47445976) is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is SCHQOVMWOXGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)15(19)17-9-12-7-8-18(10-12)14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide?
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 47445976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).