N-[(3-amino-4-fluorophenyl)methyl]acetamide

C9H11FN2O — CID 89277317

IUPACN-[(3-amino-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O/c1-6(13)12-5-7-2-3-8(10)9(11)4-7/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeySDORQVHBQKOEPJ-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.04
Rot. Bonds2

About N-[(3-amino-4-fluorophenyl)methyl]acetamide

N-[(3-amino-4-fluorophenyl)methyl]acetamide (PubChem CID 89277317) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is N-[(3-amino-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-4-fluorophenyl)methyl]acetamide
PubChem CID89277317
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameN-[(3-amino-4-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O/c1-6(13)12-5-7-2-3-8(10)9(11)4-7/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeySDORQVHBQKOEPJ-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
CID 171238427
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
tert-butyl 2-[[2-(3-amino-4-fluorophenyl)acetyl]amino]acetate
CID 67083616
5-ethyl-2-fluoroaniline
CID 10630567
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
CID 102705403
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]acetamide (CID 89277317) is N-[(3-amino-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(3-amino-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(3-amino-4-fluorophenyl)methyl]acetamide is CC(=O)NCc1ccc(F)c(N)c1.
What is the InChIKey of N-[(3-amino-4-fluorophenyl)methyl]acetamide?
The InChIKey is SDORQVHBQKOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(13)12-5-7-2-3-8(10)9(11)4-7/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of N-[(3-amino-4-fluorophenyl)methyl]acetamide?
N-[(3-amino-4-fluorophenyl)methyl]acetamide has a molecular weight of 182.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 89277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).