3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide

C21H20FN3O3 — CID 59735771

IUPAC3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide
SMILESCC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccncn2)c1
InChIInChI=1S/C21H20FN3O3/c1-14(2)28-18-10-16(21(26)25-20-7-8-23-13-24-20)9-17(11-18)27-12-15-5-3-4-6-19(15)22/h3-11,13-14H,12H2,1-2H3,(H,23,24,25,26)
InChIKeyCUXSBFHWXZJTOB-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.23
Rot. Bonds7

About 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide

3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide (PubChem CID 59735771) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide
PubChem CID59735771
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide
SMILESCC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccncn2)c1
InChIInChI=1S/C21H20FN3O3/c1-14(2)28-18-10-16(21(26)25-20-7-8-23-13-24-20)9-17(11-18)27-12-15-5-3-4-6-19(15)22/h3-11,13-14H,12H2,1-2H3,(H,23,24,25,26)
InChIKeyCUXSBFHWXZJTOB-UHFFFAOYSA-N
XLogP4.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gka-50
CID 11340230
6-[(3-Isobutoxy-5-isopropoxybenzoyl)amino]nicotinic acid
CID 10044792
(S)-6-(3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11751490
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
3,4,5-triethoxy-N-2-pyrimidinylbenzamide
CID 771150
N-(5-iodopyridin-2-yl)-3,5-dimethoxybenzamide
CID 6457730
6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid
CID 10161315
6-(3-Isopropoxy-5-phenoxybenzamido)nicotinic acid
CID 11188508
(S)-6-(3-(1-methoxypropan-2-yloxy)-5-phenoxybenzamido)nicotinic acid
CID 11235541
(S)-6-(3-(3-fluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11270610
6-(3-((S)-1-methoxypropan-2-yloxy)-5-((R)-2-phenylpropoxy)benzamido)nicotinic acid
CID 11294219
6-(3-((S)-1-(4-fluorophenyl)propan-2-yloxy)-5-((S)-1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11363673

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide (CID 59735771) is 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide is CC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccncn2)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide?
The InChIKey is CUXSBFHWXZJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14(2)28-18-10-16(21(26)25-20-7-8-23-13-24-20)9-17(11-18)27-12-15-5-3-4-6-19(15)22/h3-11,13-14H,12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide?
3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide has a molecular weight of 381.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 59735771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).