N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide

C14H10BrClINO — CID 103212445

IUPACN-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10BrClINO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-13(17)12(16)7-10/h1-7H,8H2,(H,18,19)
InChIKeyWZPDVTJQPJRUDE-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.09
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide

N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide (PubChem CID 103212445) has the molecular formula C14H10BrClINO and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
PubChem CID103212445
Molecular FormulaC14H10BrClINO
Molecular Weight450.50 g/mol
Exact Mass448.87
IUPAC NameN-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10BrClINO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-13(17)12(16)7-10/h1-7H,8H2,(H,18,19)
InChIKeyWZPDVTJQPJRUDE-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
3-[[3-(bromomethyl)phenyl]carbamoyl]benzenesulfonyl fluoride
CID 125468112
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide (CID 103212445) is N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide is O=C(Nc1cccc(CBr)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide?
The InChIKey is WZPDVTJQPJRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClINO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-13(17)12(16)7-10/h1-7H,8H2,(H,18,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide?
N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide has a molecular weight of 450.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103212445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).