N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C14H20ClN3O — CID 55170845

IUPACN-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-18(12-6-7-16-9-12)10-14(19)17-8-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3,(H,17,19)
InChIKeyQBUOQLQZUHCVBR-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 55170845) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID55170845
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-18(12-6-7-16-9-12)10-14(19)17-8-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3,(H,17,19)
InChIKeyQBUOQLQZUHCVBR-UHFFFAOYSA-N
XLogP1.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
N-[2-[azetidin-3-yl(methyl)amino]acetyl]-2-chlorobenzamide
CID 66187394
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-[methyl(pyrrolidin-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 63297765

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 55170845) is N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CN(CC(=O)NCc1ccccc1Cl)C1CCNC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is QBUOQLQZUHCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(12-6-7-16-9-12)10-14(19)17-8-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 55170845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).