[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C22H19ClN2O5 — CID 2605504

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19ClN2O5/c1-14-8-9-15(11-18(14)25-21(27)19-7-4-10-29-19)22(28)30-13-20(26)24-12-16-5-2-3-6-17(16)23/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyDQZYTMKGIZZSPR-UHFFFAOYSA-N
MW426.86 g/mol
LogP3.97
Rot. Bonds7

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 2605504) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID2605504
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H19ClN2O5/c1-14-8-9-15(11-18(14)25-21(27)19-7-4-10-29-19)22(28)30-13-20(26)24-12-16-5-2-3-6-17(16)23/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyDQZYTMKGIZZSPR-UHFFFAOYSA-N
XLogP3.97
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605528
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 55318368
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 2605504) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is DQZYTMKGIZZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5/c1-14-8-9-15(11-18(14)25-21(27)19-7-4-10-29-19)22(28)30-13-20(26)24-12-16-5-2-3-6-17(16)23/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 426.86 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 2605504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).