N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

C23H25FN4O4 — CID 2683038

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25FN4O4/c1-3-4-13-27-20(25)19(21(29)26-23(27)31)28(14-16-7-5-6-8-18(16)32-2)22(30)15-9-11-17(24)12-10-15/h5-12H,3-4,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyOMMDWKCMACBKLW-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.91
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 2683038) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID2683038
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25FN4O4/c1-3-4-13-27-20(25)19(21(29)26-23(27)31)28(14-16-7-5-6-8-18(16)32-2)22(30)15-9-11-17(24)12-10-15/h5-12H,3-4,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyOMMDWKCMACBKLW-UHFFFAOYSA-N
XLogP2.91
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 4828554
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206430
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 4828613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,3,4,5-tetrafluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206422
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 26206434
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27845680
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 42999978
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-thiophen-2-ylbutanamide
CID 26206386
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 31494741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038255
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (CID 2683038) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide is CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is OMMDWKCMACBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-3-4-13-27-20(25)19(21(29)26-23(27)31)28(14-16-7-5-6-8-18(16)32-2)22(30)15-9-11-17(24)12-10-15/h5-12H,3-4,13-14,25H2,1-2H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 440.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 2683038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).