N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide

C14H12F2N2O — CID 28894090

IUPACN-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)c1ccc(N)cc1
InChIInChI=1S/C14H12F2N2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2-8H,17H2,1H3
InChIKeySZSMTMQPTWPEJI-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.82
Rot. Bonds2

About N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide

N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide (PubChem CID 28894090) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
PubChem CID28894090
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC NameN-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)c1ccc(N)cc1
InChIInChI=1S/C14H12F2N2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2-8H,17H2,1H3
InChIKeySZSMTMQPTWPEJI-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
CID 115160992
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide (CID 28894090) is N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide?
The InChIKey is SZSMTMQPTWPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-18(11-5-3-10(17)4-6-11)14(19)9-2-7-12(15)13(16)8-9/h2-8H,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide?
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 28894090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).