N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide

C14H10ClIN2O4 — CID 60619551

IUPACN-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C14H10ClIN2O4/c1-22-13-5-2-8(15)6-12(13)17-14(19)10-4-3-9(18(20)21)7-11(10)16/h2-7H,1H3,(H,17,19)
InChIKeyXGEKIKCJXDOVHA-UHFFFAOYSA-N
MW432.60 g/mol
LogP4.11
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide

N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide (PubChem CID 60619551) has the molecular formula C14H10ClIN2O4 and a molecular weight of 432.60 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
PubChem CID60619551
Molecular FormulaC14H10ClIN2O4
Molecular Weight432.60 g/mol
Exact Mass431.94
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C14H10ClIN2O4/c1-22-13-5-2-8(15)6-12(13)17-14(19)10-4-3-9(18(20)21)7-11(10)16/h2-7H,1H3,(H,17,19)
InChIKeyXGEKIKCJXDOVHA-UHFFFAOYSA-N
XLogP4.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 54.11
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

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
methyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 1279641
5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
CID 52696142
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide
CID 55783387

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide (CID 60619551) is N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide?
The InChIKey is XGEKIKCJXDOVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O4/c1-22-13-5-2-8(15)6-12(13)17-14(19)10-4-3-9(18(20)21)7-11(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide?
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide has a molecular weight of 432.60 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide is sourced from PubChem (CID 60619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).