N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide

C15H14F2N2O — CID 62098085

IUPACN-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C15H14F2N2O/c1-8-3-13(18)14(4-9(8)2)19-15(20)10-5-11(16)7-12(17)6-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKRCGJZZNKKZYFN-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide

N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide (PubChem CID 62098085) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
PubChem CID62098085
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C15H14F2N2O/c1-8-3-13(18)14(4-9(8)2)19-15(20)10-5-11(16)7-12(17)6-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKRCGJZZNKKZYFN-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide (CID 62098085) is N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide is Cc1cc(N)c(NC(=O)c2cc(F)cc(F)c2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide?
The InChIKey is KRCGJZZNKKZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-13(18)14(4-9(8)2)19-15(20)10-5-11(16)7-12(17)6-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide?
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 62098085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).