(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate

C14H11ClFNO2 — CID 115279798

IUPAC(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-12-3-1-2-11(13(12)17)14(18)19-8-9-4-6-10(16)7-5-9/h1-7H,8,17H2
InChIKeyLHCBGVHUJUFBMN-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.42
Rot. Bonds3

About (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate

(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate (PubChem CID 115279798) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
PubChem CID115279798
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO2/c15-12-3-1-2-11(13(12)17)14(18)19-8-9-4-6-10(16)7-5-9/h1-7H,8,17H2
InChIKeyLHCBGVHUJUFBMN-UHFFFAOYSA-N
XLogP3.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
CID 150554414
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
(4-chloro-3-fluorophenyl)methyl 3-amino-2-chlorobenzoate
CID 107885824
2-pyridin-4-ylethyl 2-amino-3-chlorobenzoate
CID 115547803

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate?
The IUPAC name of (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate (CID 115279798) is (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate is Nc1c(Cl)cccc1C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate?
The InChIKey is LHCBGVHUJUFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-3-1-2-11(13(12)17)14(18)19-8-9-4-6-10(16)7-5-9/h1-7H,8,17H2.
What are the key properties of (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate?
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate has a molecular weight of 279.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-amino-3-chlorobenzoate is sourced from PubChem (CID 115279798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).