2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide

C14H18FN3O2 — CID 100616994

IUPAC2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)NCC=C(C)C)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-9(2)6-7-17-14(20)18-10-4-5-12(15)11(8-10)13(19)16-3/h4-6,8H,7H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyYARMWNAJEKDMTM-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.27
Rot. Bonds4

About 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide

2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide (PubChem CID 100616994) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
PubChem CID100616994
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)NCC=C(C)C)ccc1F
InChIInChI=1S/C14H18FN3O2/c1-9(2)6-7-17-14(20)18-10-4-5-12(15)11(8-10)13(19)16-3/h4-6,8H,7H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyYARMWNAJEKDMTM-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
4-[(3-acetyl-4-fluorophenyl)carbamoylamino]butanoic acid
CID 122093225
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
CID 96533531
2-fluoro-5-(2-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 113466748
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 74242097
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide (CID 100616994) is 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide is CNC(=O)c1cc(NC(=O)NCC=C(C)C)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide?
The InChIKey is YARMWNAJEKDMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(2)6-7-17-14(20)18-10-4-5-12(15)11(8-10)13(19)16-3/h4-6,8H,7H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide?
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide has a molecular weight of 279.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide is sourced from PubChem (CID 100616994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).