N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide

C19H13IN2O4 — CID 1381387

IUPACN-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H13IN2O4/c20-14-2-1-3-15(12-14)21-19(23)13-4-8-17(9-5-13)26-18-10-6-16(7-11-18)22(24)25/h1-12H,(H,21,23)
InChIKeyBFSAWWXDJUZKCW-UHFFFAOYSA-N
MW460.23 g/mol
LogP5.24
Rot. Bonds5

About N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide

N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide (PubChem CID 1381387) has the molecular formula C19H13IN2O4 and a molecular weight of 460.23 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
PubChem CID1381387
Molecular FormulaC19H13IN2O4
Molecular Weight460.23 g/mol
Exact Mass459.99
IUPAC NameN-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H13IN2O4/c20-14-2-1-3-15(12-14)21-19(23)13-4-8-17(9-5-13)26-18-10-6-16(7-11-18)22(24)25/h1-12H,(H,21,23)
InChIKeyBFSAWWXDJUZKCW-UHFFFAOYSA-N
XLogP5.24
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.23
LogP ≤ 55.24
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

4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
N-(1,3-dioxoisoindol-5-yl)-4-(4-nitrophenoxy)benzamide
CID 17172058
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
[3-(4-nitrophenoxy)phenyl]methyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 126187357
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide?
The IUPAC name of N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide (CID 1381387) is N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide is O=C(Nc1cccc(I)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide?
The InChIKey is BFSAWWXDJUZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O4/c20-14-2-1-3-15(12-14)21-19(23)13-4-8-17(9-5-13)26-18-10-6-16(7-11-18)22(24)25/h1-12H,(H,21,23).
What are the key properties of N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide?
N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide has a molecular weight of 460.23 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 1381387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).