2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide

C16H16F2N2O — CID 63793376

IUPAC2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
SMILESNCc1ccc(CC(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c17-14-5-6-15(18)13(8-14)10-20-16(21)7-11-1-3-12(9-19)4-2-11/h1-6,8H,7,9-10,19H2,(H,20,21)
InChIKeyWNMVXCUQBPYNCD-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide (PubChem CID 63793376) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
PubChem CID63793376
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
SMILESNCc1ccc(CC(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2N2O/c17-14-5-6-15(18)13(8-14)10-20-16(21)7-11-1-3-12(9-19)4-2-11/h1-6,8H,7,9-10,19H2,(H,20,21)
InChIKeyWNMVXCUQBPYNCD-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide
CID 155513092
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide (CID 63793376) is 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide is NCc1ccc(CC(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide?
The InChIKey is WNMVXCUQBPYNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-5-6-15(18)13(8-14)10-20-16(21)7-11-1-3-12(9-19)4-2-11/h1-6,8H,7,9-10,19H2,(H,20,21).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 63793376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).