2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid

C17H16ClNO5 — CID 91203522

IUPAC2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid
SMILESCON(Cc1ccccc1)C(=O)c1ccc(Cl)cc1OCC(=O)O
InChIInChI=1S/C17H16ClNO5/c1-23-19(10-12-5-3-2-4-6-12)17(22)14-8-7-13(18)9-15(14)24-11-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeySHVTXDDMKFUSPO-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.01
Rot. Bonds7

About 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid

2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid (PubChem CID 91203522) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid
PubChem CID91203522
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid
SMILESCON(Cc1ccccc1)C(=O)c1ccc(Cl)cc1OCC(=O)O
InChIInChI=1S/C17H16ClNO5/c1-23-19(10-12-5-3-2-4-6-12)17(22)14-8-7-13(18)9-15(14)24-11-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeySHVTXDDMKFUSPO-UHFFFAOYSA-N
XLogP3.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
N-benzyl-2-hydroxy-N-methoxybenzamide
CID 135068779
2-[2-[2-[benzyl(methoxy)carbamothioyl]-3,4-dihydro-1H-isoquinolin-1-yl]-4-chlorophenoxy]acetic acid
CID 87091604
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
2-[2-[benzyl(nitro)carbamothioyl]-5-fluoro-4-methylphenoxy]acetic acid
CID 91397101
2-[2-[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-oxoethoxy]-5-chlorobenzoic acid
CID 110076904
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid?
The IUPAC name of 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid (CID 91203522) is 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid is CON(Cc1ccccc1)C(=O)c1ccc(Cl)cc1OCC(=O)O.
What is the InChIKey of 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid?
The InChIKey is SHVTXDDMKFUSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-23-19(10-12-5-3-2-4-6-12)17(22)14-8-7-13(18)9-15(14)24-11-16(20)21/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid?
2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid has a molecular weight of 349.77 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methoxy)carbamoyl]-5-chlorophenoxy]acetic acid is sourced from PubChem (CID 91203522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).