3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide

C10H10ClFN2O — CID 115739741

IUPAC3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
SMILESC=C(Cl)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H10ClFN2O/c1-6(11)5-14-10(15)7-2-3-8(12)9(13)4-7/h2-4H,1,5,13H2,(H,14,15)
InChIKeyHNLHYSRMKIGSEM-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.89
Rot. Bonds3

About 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide

3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide (PubChem CID 115739741) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
PubChem CID115739741
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
SMILESC=C(Cl)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H10ClFN2O/c1-6(11)5-14-10(15)7-2-3-8(12)9(13)4-7/h2-4H,1,5,13H2,(H,14,15)
InChIKeyHNLHYSRMKIGSEM-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.89
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

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
CID 115636455
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-4-fluoro-N-pent-3-ynylbenzamide
CID 116642578
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide (CID 115739741) is 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide is C=C(Cl)CNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide?
The InChIKey is HNLHYSRMKIGSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c1-6(11)5-14-10(15)7-2-3-8(12)9(13)4-7/h2-4H,1,5,13H2,(H,14,15).
What are the key properties of 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide?
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide has a molecular weight of 228.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide is sourced from PubChem (CID 115739741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).