(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide

C24H29FN2O2 — CID 100554204

IUPAC(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1
InChIInChI=1S/C24H29FN2O2/c1-18(24(29)26-21-13-6-3-7-14-21)27(17-20-12-8-9-15-22(20)25)23(28)16-19-10-4-2-5-11-19/h2,4-5,8-12,15,18,21H,3,6-7,13-14,16-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyLBDRAPNWJLYZCJ-GOSISDBHSA-N
MW396.51 g/mol
LogP4.23
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide

(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide (PubChem CID 100554204) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
PubChem CID100554204
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1
InChIInChI=1S/C24H29FN2O2/c1-18(24(29)26-21-13-6-3-7-14-21)27(17-20-12-8-9-15-22(20)25)23(28)16-19-10-4-2-5-11-19/h2,4-5,8-12,15,18,21H,3,6-7,13-14,16-17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyLBDRAPNWJLYZCJ-GOSISDBHSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133261635
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 133146856
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100606439
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133247358
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
CID 133174656
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100558547
(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100558539
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide (CID 100554204) is (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide is C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide?
The InChIKey is LBDRAPNWJLYZCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-18(24(29)26-21-13-6-3-7-14-21)27(17-20-12-8-9-15-22(20)25)23(28)16-19-10-4-2-5-11-19/h2,4-5,8-12,15,18,21H,3,6-7,13-14,16-17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide?
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide has a molecular weight of 396.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 100554204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).