N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide

C14H12N2O4 — CID 134324420

IUPACN-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
SMILESO=CNc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c17-10-15-12-3-7-14(8-4-12)20-9-11-1-5-13(6-2-11)16(18)19/h1-8,10H,9H2,(H,15,17)
InChIKeyQXWFNXJDUSWAMJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.74
Rot. Bonds6

About N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide

N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide (PubChem CID 134324420) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
PubChem CID134324420
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
SMILESO=CNc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c17-10-15-12-3-7-14(8-4-12)20-9-11-1-5-13(6-2-11)16(18)19/h1-8,10H,9H2,(H,15,17)
InChIKeyQXWFNXJDUSWAMJ-UHFFFAOYSA-N
XLogP2.74
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-nitrophenyl)methoxy]benzaldehyde
CID 735836
N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126182001
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-nitro-4-[[4-[2-[4-[(4-nitrophenyl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]benzene
CID 71425965
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide?
The IUPAC name of N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide (CID 134324420) is N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide.
What is the SMILES notation for N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide?
The canonical SMILES for N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide is O=CNc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide?
The InChIKey is QXWFNXJDUSWAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-15-12-3-7-14(8-4-12)20-9-11-1-5-13(6-2-11)16(18)19/h1-8,10H,9H2,(H,15,17).
What are the key properties of N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide?
N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide has a molecular weight of 272.26 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide is sourced from PubChem (CID 134324420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).