[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate

C17H16ClFN2O3 — CID 30594185

IUPAC[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H16ClFN2O3/c1-10(16(22)21-9-12-4-2-3-5-14(12)19)24-17(23)11-6-7-13(18)15(20)8-11/h2-8,10H,9,20H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyZXTWFJYXZDLGBF-SNVBAGLBSA-N
MW350.78 g/mol
LogP2.92
Rot. Bonds5

About [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate

[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate (PubChem CID 30594185) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
PubChem CID30594185
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H16ClFN2O3/c1-10(16(22)21-9-12-4-2-3-5-14(12)19)24-17(23)11-6-7-13(18)15(20)8-11/h2-8,10H,9,20H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyZXTWFJYXZDLGBF-SNVBAGLBSA-N
XLogP2.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 30699194
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7764915
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 41323939
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromobenzoate
CID 46618829
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-amino-3-chlorobenzoate
CID 78998309
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate
CID 8972668
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate?
The IUPAC name of [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate (CID 30594185) is [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate.
What is the SMILES notation for [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate?
The canonical SMILES for [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate is C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccccc1F.
What is the InChIKey of [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate?
The InChIKey is ZXTWFJYXZDLGBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10(16(22)21-9-12-4-2-3-5-14(12)19)24-17(23)11-6-7-13(18)15(20)8-11/h2-8,10H,9,20H2,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate?
[(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate has a molecular weight of 350.78 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate is sourced from PubChem (CID 30594185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).