N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide

C14H10ClFINO — CID 47227866

IUPACN-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1I
InChIInChI=1S/C14H10ClFINO/c1-8-3-2-4-10(13(8)17)14(19)18-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyPLBHVPMHFFGOKE-UHFFFAOYSA-N
MW389.60 g/mol
LogP4.64
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide

N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide (PubChem CID 47227866) has the molecular formula C14H10ClFINO and a molecular weight of 389.60 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
PubChem CID47227866
Molecular FormulaC14H10ClFINO
Molecular Weight389.60 g/mol
Exact Mass388.95
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1I
InChIInChI=1S/C14H10ClFINO/c1-8-3-2-4-10(13(8)17)14(19)18-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,18,19)
InChIKeyPLBHVPMHFFGOKE-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
CID 63107936
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide (CID 47227866) is N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)c(F)c2)c1I.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide?
The InChIKey is PLBHVPMHFFGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFINO/c1-8-3-2-4-10(13(8)17)14(19)18-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide?
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide has a molecular weight of 389.60 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 47227866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).