2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide

C16H17FN2O2 — CID 115412431

IUPAC2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2O2/c1-21-12-6-7-13(15(18)10-12)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyKFQCXZUTOJXHIU-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide

2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 115412431) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
PubChem CID115412431
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2F)c(N)c1
InChIInChI=1S/C16H17FN2O2/c1-21-12-6-7-13(15(18)10-12)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyKFQCXZUTOJXHIU-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.39
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

2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide (CID 115412431) is 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2ccccc2F)c(N)c1.
What is the InChIKey of 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is KFQCXZUTOJXHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-12-6-7-13(15(18)10-12)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide?
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 115412431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).