N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

C20H19F2N3O4 — CID 24546994

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H19F2N3O4/c1-24(12-13-6-8-14(9-7-13)29-19(21)22)17(26)10-11-25-16-5-3-2-4-15(16)18(27)23-20(25)28/h2-9,19H,10-12H2,1H3,(H,23,27,28)
InChIKeyNRTSBZAMRPSMSI-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.34
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (PubChem CID 24546994) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
PubChem CID24546994
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H19F2N3O4/c1-24(12-13-6-8-14(9-7-13)29-19(21)22)17(26)10-11-25-16-5-3-2-4-15(16)18(27)23-20(25)28/h2-9,19H,10-12H2,1H3,(H,23,27,28)
InChIKeyNRTSBZAMRPSMSI-UHFFFAOYSA-N
XLogP2.34
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17468906
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546255
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
(4-iodophenyl) 3-(2,4-dioxoquinazolin-1-yl)propanoate
CID 47015427
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (CID 24546994) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The InChIKey is NRTSBZAMRPSMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-24(12-13-6-8-14(9-7-13)29-19(21)22)17(26)10-11-25-16-5-3-2-4-15(16)18(27)23-20(25)28/h2-9,19H,10-12H2,1H3,(H,23,27,28).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide has a molecular weight of 403.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 24546994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).