(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide

C19H23FN2O3 — CID 96549747

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
SMILESCOCCOc1ccc(N[C@@H](C)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O3/c1-14(19(23)21-13-15-5-3-4-6-18(15)20)22-16-7-9-17(10-8-16)25-12-11-24-2/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyUDOXOJLZQIPLDL-AWEZNQCLSA-N
MW346.40 g/mol
LogP2.97
Rot. Bonds9

About (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide

(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide (PubChem CID 96549747) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
PubChem CID96549747
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
SMILESCOCCOc1ccc(N[C@@H](C)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O3/c1-14(19(23)21-13-15-5-3-4-6-18(15)20)22-16-7-9-17(10-8-16)25-12-11-24-2/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyUDOXOJLZQIPLDL-AWEZNQCLSA-N
XLogP2.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide
CID 86918995
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
CID 166967445
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide (CID 96549747) is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide is COCCOc1ccc(N[C@@H](C)C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide?
The InChIKey is UDOXOJLZQIPLDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-14(19(23)21-13-15-5-3-4-6-18(15)20)22-16-7-9-17(10-8-16)25-12-11-24-2/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide?
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide has a molecular weight of 346.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide is sourced from PubChem (CID 96549747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).