N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C15H22FN3O — CID 63298312

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCc1cc(CNC(=O)CN(C)C2CCNC2)ccc1F
InChIInChI=1S/C15H22FN3O/c1-11-7-12(3-4-14(11)16)8-18-15(20)10-19(2)13-5-6-17-9-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3,(H,18,20)
InChIKeyOXWLSWQQYZAMKM-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.04
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63298312) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63298312
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCc1cc(CNC(=O)CN(C)C2CCNC2)ccc1F
InChIInChI=1S/C15H22FN3O/c1-11-7-12(3-4-14(11)16)8-18-15(20)10-19(2)13-5-6-17-9-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3,(H,18,20)
InChIKeyOXWLSWQQYZAMKM-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 134046292
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
CID 97068171
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63298312) is N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide is Cc1cc(CNC(=O)CN(C)C2CCNC2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is OXWLSWQQYZAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-7-12(3-4-14(11)16)8-18-15(20)10-19(2)13-5-6-17-9-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63298312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).