N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide

C16H17FN2O2 — CID 43461480

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(N)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-10-2-3-12(8-14(10)17)16(21)19-9-15(20)11-4-6-13(18)7-5-11/h2-8,15,20H,9,18H2,1H3,(H,19,21)
InChIKeyHPDLJSFWYHPPDF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide (PubChem CID 43461480) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
PubChem CID43461480
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(N)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-10-2-3-12(8-14(10)17)16(21)19-9-15(20)11-4-6-13(18)7-5-11/h2-8,15,20H,9,18H2,1H3,(H,19,21)
InChIKeyHPDLJSFWYHPPDF-UHFFFAOYSA-N
XLogP2.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide (CID 43461480) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)c2ccc(N)cc2)cc1F.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is HPDLJSFWYHPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-2-3-12(8-14(10)17)16(21)19-9-15(20)11-4-6-13(18)7-5-11/h2-8,15,20H,9,18H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 43461480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).