2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide

C13H17FN2O — CID 54905690

IUPAC2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C13H17FN2O/c1-4-7-16(9(2)3)13(17)11-8-10(14)5-6-12(11)15/h4-6,8-9H,1,7,15H2,2-3H3
InChIKeyWDMLDLRMTHOTHC-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide

2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide (PubChem CID 54905690) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
PubChem CID54905690
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C13H17FN2O/c1-4-7-16(9(2)3)13(17)11-8-10(14)5-6-12(11)15/h4-6,8-9H,1,7,15H2,2-3H3
InChIKeyWDMLDLRMTHOTHC-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
CID 61108768
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
CID 81420096
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
5-hydroxy-2-nitro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 107076321
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide (CID 54905690) is 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cc(F)ccc1N)C(C)C.
What is the InChIKey of 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide?
The InChIKey is WDMLDLRMTHOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-4-7-16(9(2)3)13(17)11-8-10(14)5-6-12(11)15/h4-6,8-9H,1,7,15H2,2-3H3.
What are the key properties of 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide?
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 54905690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).