N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide

C14H10ClIN2O3 — CID 38898126

IUPACN-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10ClIN2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19)
InChIKeyLOVYDGQJIRZUON-UHFFFAOYSA-N
MW416.60 g/mol
LogP3.78
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide

N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide (PubChem CID 38898126) has the molecular formula C14H10ClIN2O3 and a molecular weight of 416.60 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
PubChem CID38898126
Molecular FormulaC14H10ClIN2O3
Molecular Weight416.60 g/mol
Exact Mass415.94
IUPAC NameN-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10ClIN2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19)
InChIKeyLOVYDGQJIRZUON-UHFFFAOYSA-N
XLogP3.78
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2,3-dichloro-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
CID 17404036
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
[2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073119
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 35613298
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide (CID 38898126) is N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide is O=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide?
The InChIKey is LOVYDGQJIRZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide?
N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide has a molecular weight of 416.60 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 38898126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).