2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide

C16H16F2N2O — CID 62615626

IUPAC2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5,19H2,1H3,(H,20,21)
InChIKeyUTCVBUCUDQXZGG-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide

2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide (PubChem CID 62615626) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
PubChem CID62615626
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5,19H2,1H3,(H,20,21)
InChIKeyUTCVBUCUDQXZGG-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.83
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-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 114372223
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide (CID 62615626) is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide?
The InChIKey is UTCVBUCUDQXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-2-3-15(19)14(6-10)16(21)20-5-4-11-7-12(17)9-13(18)8-11/h2-3,6-9H,4-5,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide?
2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 62615626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).