(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate

C18H16ClFN2O4 — CID 1293777

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-11(23)22-13-7-5-12(6-8-13)18(25)21-9-17(24)26-10-14-15(19)3-2-4-16(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyRPJUZQWBCPKXBK-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.91
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate (PubChem CID 1293777) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
PubChem CID1293777
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-11(23)22-13-7-5-12(6-8-13)18(25)21-9-17(24)26-10-14-15(19)3-2-4-16(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyRPJUZQWBCPKXBK-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate (CID 1293777) is (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate is CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The InChIKey is RPJUZQWBCPKXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-11(23)22-13-7-5-12(6-8-13)18(25)21-9-17(24)26-10-14-15(19)3-2-4-16(14)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate has a molecular weight of 378.79 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate is sourced from PubChem (CID 1293777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).