2-amino-N-ethyl-5-(fluoromethyl)benzamide

C10H13FN2O — CID 89164524

IUPAC2-amino-N-ethyl-5-(fluoromethyl)benzamide
SMILESCCNC(=O)c1cc(CF)ccc1N
InChIInChI=1S/C10H13FN2O/c1-2-13-10(14)8-5-7(6-11)3-4-9(8)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyAJDPBGSQUMBFHS-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-N-ethyl-5-(fluoromethyl)benzamide

2-amino-N-ethyl-5-(fluoromethyl)benzamide (PubChem CID 89164524) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-amino-N-ethyl-5-(fluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-5-(fluoromethyl)benzamide
PubChem CID89164524
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-amino-N-ethyl-5-(fluoromethyl)benzamide
SMILESCCNC(=O)c1cc(CF)ccc1N
InChIInChI=1S/C10H13FN2O/c1-2-13-10(14)8-5-7(6-11)3-4-9(8)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyAJDPBGSQUMBFHS-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.49
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-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
methyl 2-amino-4-(fluoromethyl)benzoate
CID 59164407
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
2-amino-N-ethyl-4-methylsulfonylbenzamide
CID 166594131
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-5-(fluoromethyl)benzamide?
The IUPAC name of 2-amino-N-ethyl-5-(fluoromethyl)benzamide (CID 89164524) is 2-amino-N-ethyl-5-(fluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-ethyl-5-(fluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-ethyl-5-(fluoromethyl)benzamide is CCNC(=O)c1cc(CF)ccc1N.
What is the InChIKey of 2-amino-N-ethyl-5-(fluoromethyl)benzamide?
The InChIKey is AJDPBGSQUMBFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-13-10(14)8-5-7(6-11)3-4-9(8)12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-ethyl-5-(fluoromethyl)benzamide?
2-amino-N-ethyl-5-(fluoromethyl)benzamide has a molecular weight of 196.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-5-(fluoromethyl)benzamide is sourced from PubChem (CID 89164524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).