[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

C21H18ClNO4 — CID 24520576

IUPAC[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c1-14(20(24)23-13-15-7-9-17(22)10-8-15)27-21(25)19-18(11-12-26-19)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24)
InChIKeyWVWUSFDXQKYSQF-UHFFFAOYSA-N
MW383.83 g/mol
LogP4.46
Rot. Bonds6

About [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate

[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (PubChem CID 24520576) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
PubChem CID24520576
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
SMILESCC(OC(=O)c1occc1-c1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c1-14(20(24)23-13-15-7-9-17(22)10-8-15)27-21(25)19-18(11-12-26-19)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24)
InChIKeyWVWUSFDXQKYSQF-UHFFFAOYSA-N
XLogP4.46
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 55479081
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 7663588
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
CID 46459815
[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520584
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18148855
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509367
[1-(benzylamino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 42915222
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7504051
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384726
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738446

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate (CID 24520576) is [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is CC(OC(=O)c1occc1-c1ccccc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
The InChIKey is WVWUSFDXQKYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-14(20(24)23-13-15-7-9-17(22)10-8-15)27-21(25)19-18(11-12-26-19)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,24).
What are the key properties of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate?
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate has a molecular weight of 383.83 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 24520576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).