2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide

C16H19FN2O — CID 60822171

IUPAC2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C16H19FN2O/c1-11(12-5-6-12)19(2)16(20)15-8-7-14(17)10-13(15)4-3-9-18/h7-8,10-12H,5-6,9,18H2,1-2H3
InChIKeyRLCKBIQUMUDYQQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide

2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide (PubChem CID 60822171) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
PubChem CID60822171
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C16H19FN2O/c1-11(12-5-6-12)19(2)16(20)15-8-7-14(17)10-13(15)4-3-9-18/h7-8,10-12H,5-6,9,18H2,1-2H3
InChIKeyRLCKBIQUMUDYQQ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60815312
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 60820899
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(azocan-1-yl)methanone
CID 60822124
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-methylsulfanylethyl)benzamide
CID 63958382

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide (CID 60822171) is 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccc(F)cc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The InChIKey is RLCKBIQUMUDYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(12-5-6-12)19(2)16(20)15-8-7-14(17)10-13(15)4-3-9-18/h7-8,10-12H,5-6,9,18H2,1-2H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide has a molecular weight of 274.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 60822171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).