2-amino-N-[(3-fluorophenyl)methyl]propanamide

C10H13FN2O — CID 43123316

IUPAC2-amino-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H13FN2O/c1-7(12)10(14)13-6-8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyCWEMWGFQSOSEFP-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-N-[(3-fluorophenyl)methyl]propanamide

2-amino-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 43123316) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID43123316
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H13FN2O/c1-7(12)10(14)13-6-8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyCWEMWGFQSOSEFP-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-[(3-fluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
CID 115186223
2-amino-N-[[4-[4-(3-fluorophenyl)butylamino]phenyl]methyl]propanamide
CID 67841783
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]propanamide (CID 43123316) is 2-amino-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]propanamide is CC(N)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is CWEMWGFQSOSEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(12)10(14)13-6-8-3-2-4-9(11)5-8/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]propanamide?
2-amino-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 196.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 43123316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).