[2-(2,6-dichloroanilino)phenyl]methyl formate

C14H11Cl2NO2 — CID 88975698

IUPAC[2-(2,6-dichloroanilino)phenyl]methyl formate
SMILESO=COCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-19-9-18/h1-7,9,17H,8H2
InChIKeyKRWTXTHYTGBFAM-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.41
Rot. Bonds5

About [2-(2,6-dichloroanilino)phenyl]methyl formate

[2-(2,6-dichloroanilino)phenyl]methyl formate (PubChem CID 88975698) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)phenyl]methyl formate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)phenyl]methyl formate
PubChem CID88975698
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name[2-(2,6-dichloroanilino)phenyl]methyl formate
SMILESO=COCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-19-9-18/h1-7,9,17H,8H2
InChIKeyKRWTXTHYTGBFAM-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver
CID 171593274
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
methyl 2-[3-[[2-(2,6-dichloroanilino)phenyl]methoxy]phenyl]acetate
CID 174584948
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)phenyl]methyl formate?
The IUPAC name of [2-(2,6-dichloroanilino)phenyl]methyl formate (CID 88975698) is [2-(2,6-dichloroanilino)phenyl]methyl formate.
What is the SMILES notation for [2-(2,6-dichloroanilino)phenyl]methyl formate?
The canonical SMILES for [2-(2,6-dichloroanilino)phenyl]methyl formate is O=COCc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)phenyl]methyl formate?
The InChIKey is KRWTXTHYTGBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-19-9-18/h1-7,9,17H,8H2.
What are the key properties of [2-(2,6-dichloroanilino)phenyl]methyl formate?
[2-(2,6-dichloroanilino)phenyl]methyl formate has a molecular weight of 296.15 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)phenyl]methyl formate is sourced from PubChem (CID 88975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).