N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide

C16H14FNO2 — CID 135294047

IUPACN-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide
SMILESCc1cc(-c2cc(C=O)cc(F)c2C)ccc1NC=O
InChIInChI=1S/C16H14FNO2/c1-10-5-13(3-4-16(10)18-9-20)14-6-12(8-19)7-15(17)11(14)2/h3-9H,1-2H3,(H,18,20)
InChIKeyZRYGGTIXNGCZIY-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide

N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide (PubChem CID 135294047) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide
PubChem CID135294047
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide
SMILESCc1cc(-c2cc(C=O)cc(F)c2C)ccc1NC=O
InChIInChI=1S/C16H14FNO2/c1-10-5-13(3-4-16(10)18-9-20)14-6-12(8-19)7-15(17)11(14)2/h3-9H,1-2H3,(H,18,20)
InChIKeyZRYGGTIXNGCZIY-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde
CID 135294106
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide
CID 135294028
N-(3-fluoro-2,4-dimethylphenyl)formamide
CID 168652075
N-(4-fluoro-2-iodo-3-methylphenyl)formamide
CID 168653017
N-[4-(aminomethyl)-2-methylphenyl]formamide
CID 82502855
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
N-(3-fluoro-2-methylphenyl)formamide
CID 45090567
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide?
The IUPAC name of N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide (CID 135294047) is N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide.
What is the SMILES notation for N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide?
The canonical SMILES for N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide is Cc1cc(-c2cc(C=O)cc(F)c2C)ccc1NC=O.
What is the InChIKey of N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide?
The InChIKey is ZRYGGTIXNGCZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-5-13(3-4-16(10)18-9-20)14-6-12(8-19)7-15(17)11(14)2/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide?
N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide has a molecular weight of 271.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide is sourced from PubChem (CID 135294047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).