4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid

C16H14ClNO4 — CID 17171925

IUPAC4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c17-13-5-7-14(8-6-13)22-10-15(19)18-9-11-1-3-12(4-2-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyBFBIJAMKIRJUSL-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.73
Rot. Bonds6

About 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid

4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid (PubChem CID 17171925) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
PubChem CID17171925
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c17-13-5-7-14(8-6-13)22-10-15(19)18-9-11-1-3-12(4-2-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyBFBIJAMKIRJUSL-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
(2S)-3-[4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 68856560
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid (CID 17171925) is 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid is O=C(COc1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid?
The InChIKey is BFBIJAMKIRJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c17-13-5-7-14(8-6-13)22-10-15(19)18-9-11-1-3-12(4-2-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid?
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid has a molecular weight of 319.74 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 17171925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).