N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

C14H18FN3O — CID 3313701

IUPACN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(F)c(N2CCCC2)cc1C
InChIInChI=1S/C14H18FN3O/c1-10-7-14(18-5-3-4-6-18)13(15)8-12(10)9-16-17-11(2)19/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyPRSZIBQTCFQWPP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds3

About N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (PubChem CID 3313701) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
PubChem CID3313701
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(F)c(N2CCCC2)cc1C
InChIInChI=1S/C14H18FN3O/c1-10-7-14(18-5-3-4-6-18)13(15)8-12(10)9-16-17-11(2)19/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyPRSZIBQTCFQWPP-UHFFFAOYSA-N
XLogP2.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 5034585
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 3525376
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
2-[3-(dimethylamino)phenoxy]-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4234237
2-[3-(dimethylamino)phenoxy]-N-[(E)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 124553498
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 6293096

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (CID 3313701) is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is CC(=O)NN=Cc1cc(F)c(N2CCCC2)cc1C.
What is the InChIKey of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The InChIKey is PRSZIBQTCFQWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10-7-14(18-5-3-4-6-18)13(15)8-12(10)9-16-17-11(2)19/h7-9H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3313701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).