N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide

C13H18FN3O — CID 106637015

IUPACN-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCC2CCCN2)c1
InChIInChI=1S/C13H18FN3O/c1-9(18)17-10-4-5-12(14)13(7-10)16-8-11-3-2-6-15-11/h4-5,7,11,15-16H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyMNBXCGRRJIDBBX-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.95
Rot. Bonds4

About N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide

N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide (PubChem CID 106637015) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
PubChem CID106637015
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCC2CCCN2)c1
InChIInChI=1S/C13H18FN3O/c1-9(18)17-10-4-5-12(14)13(7-10)16-8-11-3-2-6-15-11/h4-5,7,11,15-16H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyMNBXCGRRJIDBBX-UHFFFAOYSA-N
XLogP1.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
CID 54862921
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
1-(azepan-2-ylmethyl)-3-(4-fluoro-3-methylphenyl)urea
CID 118778659
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
N-[4-(pyrrolidin-2-ylmethylsulfanyl)phenyl]acetamide
CID 82297605

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide (CID 106637015) is N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NCC2CCCN2)c1.
What is the InChIKey of N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide?
The InChIKey is MNBXCGRRJIDBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9(18)17-10-4-5-12(14)13(7-10)16-8-11-3-2-6-15-11/h4-5,7,11,15-16H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide?
N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 106637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).