2-[benzyl-(3-fluorobenzoyl)amino]acetic acid

C16H14FNO3 — CID 84583368

IUPAC2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-14-8-4-7-13(9-14)16(21)18(11-15(19)20)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20)
InChIKeyBLJSIQQYHVMOAE-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.55
Rot. Bonds5

About 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid

2-[benzyl-(3-fluorobenzoyl)amino]acetic acid (PubChem CID 84583368) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
PubChem CID84583368
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-14-8-4-7-13(9-14)16(21)18(11-15(19)20)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20)
InChIKeyBLJSIQQYHVMOAE-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
[4-[[benzyl-(3-fluorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3553851
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 4166505
N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-fluorobenzamide
CID 4242364
2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165667
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-3-fluoro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]benzamide
CID 42676482
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110165390

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid (CID 84583368) is 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid?
The InChIKey is BLJSIQQYHVMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-14-8-4-7-13(9-14)16(21)18(11-15(19)20)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid?
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid has a molecular weight of 287.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-fluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 84583368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).