3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide

C20H23FN2O — CID 119715345

IUPAC3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N(Cc1cccc(F)c1)C1CC1)C(N)c1ccccc1
InChIInChI=1S/C20H23FN2O/c1-14(19(22)16-7-3-2-4-8-16)20(24)23(18-10-11-18)13-15-6-5-9-17(21)12-15/h2-9,12,14,18-19H,10-11,13,22H2,1H3
InChIKeyOHPJEOAILWDSCX-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.65
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide

3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 119715345) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID119715345
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N(Cc1cccc(F)c1)C1CC1)C(N)c1ccccc1
InChIInChI=1S/C20H23FN2O/c1-14(19(22)16-7-3-2-4-8-16)20(24)23(18-10-11-18)13-15-6-5-9-17(21)12-15/h2-9,12,14,18-19H,10-11,13,22H2,1H3
InChIKeyOHPJEOAILWDSCX-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197423
(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197422
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 55965679
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide
CID 86784319

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide (CID 119715345) is 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide is CC(C(=O)N(Cc1cccc(F)c1)C1CC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is OHPJEOAILWDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14(19(22)16-7-3-2-4-8-16)20(24)23(18-10-11-18)13-15-6-5-9-17(21)12-15/h2-9,12,14,18-19H,10-11,13,22H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119715345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).