(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide

C21H24FN3O2 — CID 52513427

IUPAC(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
SMILESO=C(Cc1cccc(F)c1)NCCN[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H24FN3O2/c22-17-8-4-5-15(13-17)14-19(26)23-11-12-24-20(16-6-2-1-3-7-16)21(27)25-18-9-10-18/h1-8,13,18,20,24H,9-12,14H2,(H,23,26)(H,25,27)/t20-/m0/s1
InChIKeyUBLRUUJBCZPDAB-FQEVSTJZSA-N
MW369.44 g/mol
LogP2.09
Rot. Bonds9

About (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide (PubChem CID 52513427) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
PubChem CID52513427
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
SMILESO=C(Cc1cccc(F)c1)NCCN[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H24FN3O2/c22-17-8-4-5-15(13-17)14-19(26)23-11-12-24-20(16-6-2-1-3-7-16)21(27)25-18-9-10-18/h1-8,13,18,20,24H,9-12,14H2,(H,23,26)(H,25,27)/t20-/m0/s1
InChIKeyUBLRUUJBCZPDAB-FQEVSTJZSA-N
XLogP2.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
(2R)-2-[(2-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylacetamide
CID 31878604
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide (CID 52513427) is (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide is O=C(Cc1cccc(F)c1)NCCN[C@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
The InChIKey is UBLRUUJBCZPDAB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-17-8-4-5-15(13-17)14-19(26)23-11-12-24-20(16-6-2-1-3-7-16)21(27)25-18-9-10-18/h1-8,13,18,20,24H,9-12,14H2,(H,23,26)(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide has a molecular weight of 369.44 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide is sourced from PubChem (CID 52513427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).