N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide

C15H16F2IN3O3 — CID 19550050

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cc(I)c(C)n2)ccc1OC(F)F
InChIInChI=1S/C15H16F2IN3O3/c1-9-11(18)8-21(20-9)6-5-14(22)19-10-3-4-12(24-15(16)17)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22)
InChIKeyWJDLYFJXWRMOTB-UHFFFAOYSA-N
MW451.21 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide (PubChem CID 19550050) has the molecular formula C15H16F2IN3O3 and a molecular weight of 451.21 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
PubChem CID19550050
Molecular FormulaC15H16F2IN3O3
Molecular Weight451.21 g/mol
Exact Mass451.02
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cc(I)c(C)n2)ccc1OC(F)F
InChIInChI=1S/C15H16F2IN3O3/c1-9-11(18)8-21(20-9)6-5-14(22)19-10-3-4-12(24-15(16)17)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22)
InChIKeyWJDLYFJXWRMOTB-UHFFFAOYSA-N
XLogP3.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550051
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266603
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550046

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide (CID 19550050) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide is COc1cc(NC(=O)CCn2cc(I)c(C)n2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
The InChIKey is WJDLYFJXWRMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2IN3O3/c1-9-11(18)8-21(20-9)6-5-14(22)19-10-3-4-12(24-15(16)17)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide has a molecular weight of 451.21 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19550050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).