N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide

C15H13FINO3 — CID 4552214

IUPACN-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2F)cc(I)c1OC
InChIInChI=1S/C15H13FINO3/c1-20-13-8-9(7-11(17)14(13)21-2)15(19)18-12-6-4-3-5-10(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeySRHAEGZRGVFSTA-UHFFFAOYSA-N
MW401.18 g/mol
LogP3.70
Rot. Bonds4

About N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide

N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide (PubChem CID 4552214) has the molecular formula C15H13FINO3 and a molecular weight of 401.18 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
PubChem CID4552214
Molecular FormulaC15H13FINO3
Molecular Weight401.18 g/mol
Exact Mass400.99
IUPAC NameN-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2F)cc(I)c1OC
InChIInChI=1S/C15H13FINO3/c1-20-13-8-9(7-11(17)14(13)21-2)15(19)18-12-6-4-3-5-10(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeySRHAEGZRGVFSTA-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
2-N-(2-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092647
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
CID 46555581
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide?
The IUPAC name of N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide (CID 4552214) is N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide?
The canonical SMILES for N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2F)cc(I)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide?
The InChIKey is SRHAEGZRGVFSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO3/c1-20-13-8-9(7-11(17)14(13)21-2)15(19)18-12-6-4-3-5-10(12)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide?
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide has a molecular weight of 401.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide is sourced from PubChem (CID 4552214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).