3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C21H20F2N4O3 — CID 55758386

IUPAC3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1OC(F)F
InChIInChI=1S/C21H20F2N4O3/c1-29-16-9-8-13(12-17(16)30-21(22)23)20(28)26-18-19(27-10-4-5-11-27)25-15-7-3-2-6-14(15)24-18/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,24,26,28)
InChIKeyMBFFKAMLEAOOFW-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.09
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 55758386) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID55758386
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1OC(F)F
InChIInChI=1S/C21H20F2N4O3/c1-29-16-9-8-13(12-17(16)30-21(22)23)20(28)26-18-19(27-10-4-5-11-27)25-15-7-3-2-6-14(15)24-18/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,24,26,28)
InChIKeyMBFFKAMLEAOOFW-UHFFFAOYSA-N
XLogP4.09
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 35780569
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide
CID 55522312
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
CID 56824300

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 55758386) is 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is MBFFKAMLEAOOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-29-16-9-8-13(12-17(16)30-21(22)23)20(28)26-18-19(27-10-4-5-11-27)25-15-7-3-2-6-14(15)24-18/h2-3,6-9,12,21H,4-5,10-11H2,1H3,(H,24,26,28).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 414.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 55758386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).