N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide

C15H14F2N2O2 — CID 43461442

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
SMILESNc1ccc(C(O)CNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2N2O2/c16-12-6-3-10(7-13(12)17)15(21)19-8-14(20)9-1-4-11(18)5-2-9/h1-7,14,20H,8,18H2,(H,19,21)
InChIKeyFNFAZTYXICLHLA-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide (PubChem CID 43461442) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
PubChem CID43461442
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
SMILESNc1ccc(C(O)CNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2N2O2/c16-12-6-3-10(7-13(12)17)15(21)19-8-14(20)9-1-4-11(18)5-2-9/h1-7,14,20H,8,18H2,(H,19,21)
InChIKeyFNFAZTYXICLHLA-UHFFFAOYSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide (CID 43461442) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide is Nc1ccc(C(O)CNC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide?
The InChIKey is FNFAZTYXICLHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-6-3-10(7-13(12)17)15(21)19-8-14(20)9-1-4-11(18)5-2-9/h1-7,14,20H,8,18H2,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide has a molecular weight of 292.29 g/mol, XLogP of 2.01, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 43461442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).