N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide

C15H13IN2O3 — CID 106592010

IUPACN-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13IN2O3/c1-10(11-3-2-4-14(9-11)18(20)21)15(19)17-13-7-5-12(16)6-8-13/h2-10H,1H3,(H,17,19)
InChIKeyWJTCJWIKIASURH-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.94
Rot. Bonds4

About N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide

N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide (PubChem CID 106592010) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
PubChem CID106592010
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC NameN-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13IN2O3/c1-10(11-3-2-4-14(9-11)18(20)21)15(19)17-13-7-5-12(16)6-8-13/h2-10H,1H3,(H,17,19)
InChIKeyWJTCJWIKIASURH-UHFFFAOYSA-N
XLogP3.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.94
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

2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 106592132
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
4-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062545
N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 21169434
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
CID 106737138
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide (CID 106592010) is N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide is CC(C(=O)Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide?
The InChIKey is WJTCJWIKIASURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c1-10(11-3-2-4-14(9-11)18(20)21)15(19)17-13-7-5-12(16)6-8-13/h2-10H,1H3,(H,17,19).
What are the key properties of N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide?
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide has a molecular weight of 396.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).