N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide

C15H13ClIN3O3 — CID 55762753

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C15H13ClIN3O3/c1-19(2)14-11(16)4-3-5-13(14)18-15(21)10-8-9(20(22)23)6-7-12(10)17/h3-8H,1-2H3,(H,18,21)
InChIKeyFTJNXGIQQJBRGM-UHFFFAOYSA-N
MW445.64 g/mol
LogP4.17
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide (PubChem CID 55762753) has the molecular formula C15H13ClIN3O3 and a molecular weight of 445.64 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
PubChem CID55762753
Molecular FormulaC15H13ClIN3O3
Molecular Weight445.64 g/mol
Exact Mass444.97
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C15H13ClIN3O3/c1-19(2)14-11(16)4-3-5-13(14)18-15(21)10-8-9(20(22)23)6-7-12(10)17/h3-8H,1-2H3,(H,18,21)
InChIKeyFTJNXGIQQJBRGM-UHFFFAOYSA-N
XLogP4.17
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46458024
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
CID 38898126
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide (CID 55762753) is N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide is CN(C)c1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide?
The InChIKey is FTJNXGIQQJBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3O3/c1-19(2)14-11(16)4-3-5-13(14)18-15(21)10-8-9(20(22)23)6-7-12(10)17/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide has a molecular weight of 445.64 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 55762753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).