2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide

C14H10F4N2O — CID 63794966

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H10F4N2O/c15-8-1-2-10(16)7(3-8)6-20-14(21)9-4-11(17)12(18)5-13(9)19/h1-5H,6,19H2,(H,20,21)
InChIKeyWOYRIHFUGZAYAX-UHFFFAOYSA-N
MW298.24 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide

2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide (PubChem CID 63794966) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
PubChem CID63794966
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H10F4N2O/c15-8-1-2-10(16)7(3-8)6-20-14(21)9-4-11(17)12(18)5-13(9)19/h1-5H,6,19H2,(H,20,21)
InChIKeyWOYRIHFUGZAYAX-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 52.76
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

2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 55236272

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide (CID 63794966) is 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide is Nc1cc(F)c(F)cc1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide?
The InChIKey is WOYRIHFUGZAYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-8-1-2-10(16)7(3-8)6-20-14(21)9-4-11(17)12(18)5-13(9)19/h1-5H,6,19H2,(H,20,21).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide?
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide has a molecular weight of 298.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide is sourced from PubChem (CID 63794966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).