[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate

C16H14ClNO3 — CID 2624326

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-11-5-4-6-12(9-11)18-15(19)10-21-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyKTHRBKMPDGHPJI-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.44
Rot. Bonds4

About [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate

[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2624326) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
PubChem CID2624326
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-11-5-4-6-12(9-11)18-15(19)10-21-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyKTHRBKMPDGHPJI-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624378
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-(3-methylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725213
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-(3-methylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612183
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-(3-methylanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46924997
(2-anilino-2-oxoethyl) 2-amino-3-chlorobenzoate
CID 17414413
[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611767
ethyl 5-[[2-(2-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoate
CID 3505157
[2-(3-methylanilino)-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8986974

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate (CID 2624326) is [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate is Cc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is KTHRBKMPDGHPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-5-4-6-12(9-11)18-15(19)10-21-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate?
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 303.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2624326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).