N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide

C18H12F3N3O2 — CID 10155362

IUPACN-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(F)c1F)c1cncnc1Oc1ccc(F)cc1
InChIInChI=1S/C18H12F3N3O2/c19-12-4-6-13(7-5-12)26-18-14(9-22-10-24-18)17(25)23-8-11-2-1-3-15(20)16(11)21/h1-7,9-10H,8H2,(H,23,25)
InChIKeyJPTZXLNOMWQSME-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.62
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide

N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide (PubChem CID 10155362) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide
PubChem CID10155362
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(F)c1F)c1cncnc1Oc1ccc(F)cc1
InChIInChI=1S/C18H12F3N3O2/c19-12-4-6-13(7-5-12)26-18-14(9-22-10-24-18)17(25)23-8-11-2-1-3-15(20)16(11)21/h1-7,9-10H,8H2,(H,23,25)
InChIKeyJPTZXLNOMWQSME-UHFFFAOYSA-N
XLogP3.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[3-(dimethylamino)phenoxy]pyrimidine-5-carboxamide
CID 10293303
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 10137595
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 114213821
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 74244249
4-(3-acetylphenoxy)-N-[[4-(2-hydroxybutan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide
CID 142079556

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide (CID 10155362) is N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide is O=C(NCc1cccc(F)c1F)c1cncnc1Oc1ccc(F)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide?
The InChIKey is JPTZXLNOMWQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-12-4-6-13(7-5-12)26-18-14(9-22-10-24-18)17(25)23-8-11-2-1-3-15(20)16(11)21/h1-7,9-10H,8H2,(H,23,25).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide?
N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenoxy)pyrimidine-5-carboxamide is sourced from PubChem (CID 10155362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).