N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide

C10H13FN2O — CID 130059747

IUPACN-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(N)CF)cc1
InChIInChI=1S/C10H13FN2O/c1-7(14)13-9-4-2-8(3-5-9)10(12)6-11/h2-5,10H,6,12H2,1H3,(H,13,14)
InChIKeyLQUJCBXTSZYRCF-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.61
Rot. Bonds3

About N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide

N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide (PubChem CID 130059747) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
PubChem CID130059747
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameN-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(N)CF)cc1
InChIInChI=1S/C10H13FN2O/c1-7(14)13-9-4-2-8(3-5-9)10(12)6-11/h2-5,10H,6,12H2,1H3,(H,13,14)
InChIKeyLQUJCBXTSZYRCF-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
N-[4-[(1S)-1,4-diaminobutyl]phenyl]acetamide
CID 171226174
N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
CID 171259999
N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
CID 131124936
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
ethyl 5-(4-acetamidophenyl)-5-aminopentanoate
CID 82367101
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide (CID 130059747) is N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(N)CF)cc1.
What is the InChIKey of N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide?
The InChIKey is LQUJCBXTSZYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(14)13-9-4-2-8(3-5-9)10(12)6-11/h2-5,10H,6,12H2,1H3,(H,13,14).
What are the key properties of N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide?
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide has a molecular weight of 196.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide is sourced from PubChem (CID 130059747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).