N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide

C21H19FN2O3 — CID 17467276

IUPACN-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide
SMILESCc1cc(=O)oc2cc(NC(C(=O)NC3CC3)c3ccc(F)cc3)ccc12
InChIInChI=1S/C21H19FN2O3/c1-12-10-19(25)27-18-11-16(8-9-17(12)18)23-20(21(26)24-15-6-7-15)13-2-4-14(22)5-3-13/h2-5,8-11,15,20,23H,6-7H2,1H3,(H,24,26)
InChIKeyFTWIZNIBMYNYJY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.67
Rot. Bonds5

About N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide

N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide (PubChem CID 17467276) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide
PubChem CID17467276
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide
SMILESCc1cc(=O)oc2cc(NC(C(=O)NC3CC3)c3ccc(F)cc3)ccc12
InChIInChI=1S/C21H19FN2O3/c1-12-10-19(25)27-18-11-16(8-9-17(12)18)23-20(21(26)24-15-6-7-15)13-2-4-14(22)5-3-13/h2-5,8-11,15,20,23H,6-7H2,1H3,(H,24,26)
InChIKeyFTWIZNIBMYNYJY-UHFFFAOYSA-N
XLogP3.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide (CID 17467276) is N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide is Cc1cc(=O)oc2cc(NC(C(=O)NC3CC3)c3ccc(F)cc3)ccc12.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide?
The InChIKey is FTWIZNIBMYNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-10-19(25)27-18-11-16(8-9-17(12)18)23-20(21(26)24-15-6-7-15)13-2-4-14(22)5-3-13/h2-5,8-11,15,20,23H,6-7H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide?
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide has a molecular weight of 366.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)amino]acetamide is sourced from PubChem (CID 17467276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).