2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide

C14H19FINO2 — CID 146670025

IUPAC2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1ccc(I)c(F)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H19FINO2/c1-8(2)17(9(3)4)14(18)12-11(19-5)7-6-10(16)13(12)15/h6-9H,1-5H3
InChIKeyQVOMUJWRPVLPQX-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.70
Rot. Bonds4

About 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide

2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide (PubChem CID 146670025) has the molecular formula C14H19FINO2 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide
PubChem CID146670025
Molecular FormulaC14H19FINO2
Molecular Weight379.21 g/mol
Exact Mass379.04
IUPAC Name2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1ccc(I)c(F)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H19FINO2/c1-8(2)17(9(3)4)14(18)12-11(19-5)7-6-10(16)13(12)15/h6-9H,1-5H3
InChIKeyQVOMUJWRPVLPQX-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
2-hydroxy-8-methoxy-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 101334019
1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 58180939
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
methyl 2-(1-bromoethyl)-3-fluoro-4-iodobenzoate
CID 176694967
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
1-[6-iodo-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131309529
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
CID 134967493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide (CID 146670025) is 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide is COc1ccc(I)c(F)c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is QVOMUJWRPVLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FINO2/c1-8(2)17(9(3)4)14(18)12-11(19-5)7-6-10(16)13(12)15/h6-9H,1-5H3.
What are the key properties of 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide?
2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 379.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 146670025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).