N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

C16H19FN2O2 — CID 62978558

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1ccc(F)cc1C#CCO)C1CC1
InChIInChI=1S/C16H19FN2O2/c1-19(14-5-6-14)9-8-18-16(21)15-7-4-13(17)11-12(15)3-2-10-20/h4,7,11,14,20H,5-6,8-10H2,1H3,(H,18,21)
InChIKeyBNZBFANSNHTVBL-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.99
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62978558) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62978558
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1ccc(F)cc1C#CCO)C1CC1
InChIInChI=1S/C16H19FN2O2/c1-19(14-5-6-14)9-8-18-16(21)15-7-4-13(17)11-12(15)3-2-10-20/h4,7,11,14,20H,5-6,8-10H2,1H3,(H,18,21)
InChIKeyBNZBFANSNHTVBL-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978382
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
N-(3-amino-3-oxopropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60821465
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
N-(3-ethoxypropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816580
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414962
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 102868031
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 62978558) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is CN(CCNC(=O)c1ccc(F)cc1C#CCO)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BNZBFANSNHTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-19(14-5-6-14)9-8-18-16(21)15-7-4-13(17)11-12(15)3-2-10-20/h4,7,11,14,20H,5-6,8-10H2,1H3,(H,18,21).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 290.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62978558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).