4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C12H17FN2O2 — CID 62678688

IUPAC4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyMHWBNIDPPONTAT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 62678688) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID62678688
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3
InChIKeyMHWBNIDPPONTAT-UHFFFAOYSA-N
XLogP1.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
N-(2-bromoethyl)-3,4-difluoro-N-propan-2-ylbenzamide
CID 80665985
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744371
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 62678688) is 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is MHWBNIDPPONTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)15(5-6-16)12(17)9-3-4-11(14)10(13)7-9/h3-4,7-8,16H,5-6,14H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 62678688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).