4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide

C20H25FN2O2 — CID 60606761

IUPAC4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCCOc1ccccc1F
InChIInChI=1S/C20H25FN2O2/c1-14(2)13-23-20(24)16-8-9-18(15(3)12-16)22-10-11-25-19-7-5-4-6-17(19)21/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeySZZZFRNIOFAMPG-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.01
Rot. Bonds8

About 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide

4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 60606761) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID60606761
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCCOc1ccccc1F
InChIInChI=1S/C20H25FN2O2/c1-14(2)13-23-20(24)16-8-9-18(15(3)12-16)22-10-11-25-19-7-5-4-6-17(19)21/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)
InChIKeySZZZFRNIOFAMPG-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 52804465
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340250
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide (CID 60606761) is 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NCCOc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is SZZZFRNIOFAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)13-23-20(24)16-8-9-18(15(3)12-16)22-10-11-25-19-7-5-4-6-17(19)21/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 344.43 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60606761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).