N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide

C14H15FN4O2 — CID 17392065

IUPACN-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide
SMILESCOc1ccnc(N(C)CC(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN4O2/c1-19(14-16-7-6-13(18-14)21-2)9-12(20)17-11-5-3-4-10(15)8-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyMCPHKTPUNFTOPS-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.70
Rot. Bonds5

About N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide

N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide (PubChem CID 17392065) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide
PubChem CID17392065
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide
SMILESCOc1ccnc(N(C)CC(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN4O2/c1-19(14-16-7-6-13(18-14)21-2)9-12(20)17-11-5-3-4-10(15)8-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyMCPHKTPUNFTOPS-UHFFFAOYSA-N
XLogP1.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 36723676
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676287
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide (CID 17392065) is N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide is COc1ccnc(N(C)CC(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide?
The InChIKey is MCPHKTPUNFTOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19(14-16-7-6-13(18-14)21-2)9-12(20)17-11-5-3-4-10(15)8-11/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide?
N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-methoxypyrimidin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 17392065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).