N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide

C15H14N2O3 — CID 88788472

IUPACN-[1-nitro-2-(3-phenylphenyl)ethyl]formamide
SMILESO=CNC(Cc1cccc(-c2ccccc2)c1)[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-11-16-15(17(19)20)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11,15H,10H2,(H,16,18)
InChIKeyQMWAQWXCPFWFIH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.24
Rot. Bonds6

About N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide

N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide (PubChem CID 88788472) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-nitro-2-(3-phenylphenyl)ethyl]formamide
PubChem CID88788472
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[1-nitro-2-(3-phenylphenyl)ethyl]formamide
SMILESO=CNC(Cc1cccc(-c2ccccc2)c1)[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c18-11-16-15(17(19)20)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11,15H,10H2,(H,16,18)
InChIKeyQMWAQWXCPFWFIH-UHFFFAOYSA-N
XLogP2.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

methyl 2-formamido-3-(3-nitrophenyl)propanoate
CID 23458865
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
formic acid;1-nitro-3-phenylbenzene
CID 158057338
N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide
CID 867448
3-[[3-(3-phenylphenyl)phenyl]methyl]pentane-2,4-dione
CID 70902423
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
(1-nitro-2-phenylethoxy)methyl formate
CID 87263227
(2S)-N-benzyl-2-formamidopropan-1-imine oxide
CID 177384432
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[2-hydroxy-1-(4-phenylphenyl)ethyl]formamide
CID 170955865
1,4-bis(3-benzylphenyl)benzene
CID 175442136

Frequently Asked Questions

What is the IUPAC name of N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide?
The IUPAC name of N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide (CID 88788472) is N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide.
What is the SMILES notation for N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide?
The canonical SMILES for N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide is O=CNC(Cc1cccc(-c2ccccc2)c1)[N+](=O)[O-].
What is the InChIKey of N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide?
The InChIKey is QMWAQWXCPFWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-11-16-15(17(19)20)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11,15H,10H2,(H,16,18).
What are the key properties of N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide?
N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide has a molecular weight of 270.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-nitro-2-(3-phenylphenyl)ethyl]formamide is sourced from PubChem (CID 88788472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).