4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide

C16H15IN2O3 — CID 4702488

IUPAC4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15IN2O3/c1-11(12-4-8-15(9-5-12)19(21)22)10-18-16(20)13-2-6-14(17)7-3-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyMKXWAHHGNHQZNU-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.73
Rot. Bonds5

About 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide

4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide (PubChem CID 4702488) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
PubChem CID4702488
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC Name4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15IN2O3/c1-11(12-4-8-15(9-5-12)19(21)22)10-18-16(20)13-2-6-14(17)7-3-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyMKXWAHHGNHQZNU-UHFFFAOYSA-N
XLogP3.73
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.73
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

4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702465
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 18159360
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702472
N-[(2S)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297065
N-[(2R)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297064
2-bromo-2,2-difluoro-N-[2-(4-nitrophenyl)propyl]acetamide
CID 4702443
2-(2,6-difluorophenyl)sulfonyl-4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 174533791
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide?
The IUPAC name of 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide (CID 4702488) is 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide is CC(CNC(=O)c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide?
The InChIKey is MKXWAHHGNHQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3/c1-11(12-4-8-15(9-5-12)19(21)22)10-18-16(20)13-2-6-14(17)7-3-13/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide?
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide has a molecular weight of 410.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide is sourced from PubChem (CID 4702488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).