methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate

C22H18ClNO4 — CID 10023622

IUPACmethyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18ClNO4/c1-27-22(26)19-11-10-16(23)14-20(19)24-21(25)13-15-6-5-9-18(12-15)28-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyZFPNBCOHNZPUTI-UHFFFAOYSA-N
MW395.84 g/mol
LogP5.10
Rot. Bonds6

About methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate

methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate (PubChem CID 10023622) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
PubChem CID10023622
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Namemethyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18ClNO4/c1-27-22(26)19-11-10-16(23)14-20(19)24-21(25)13-15-6-5-9-18(12-15)28-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyZFPNBCOHNZPUTI-UHFFFAOYSA-N
XLogP5.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-nitro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
CID 10501491
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CID 56974967
methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
CID 2090617
methyl 2-[(2-benzylsulfinylacetyl)amino]-4-chlorobenzoate
CID 22364770
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
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4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 4-chloro-2-(4-hydroxybutanoylamino)benzoate
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methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
CID 20602808
methyl 4-chloro-2-[[2-(4-hydroxy-3,5-dipropoxyphenyl)acetyl]amino]benzoate
CID 142676349
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate (CID 10023622) is methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate?
The InChIKey is ZFPNBCOHNZPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-27-22(26)19-11-10-16(23)14-20(19)24-21(25)13-15-6-5-9-18(12-15)28-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate?
methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate has a molecular weight of 395.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 10023622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).