(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

C22H26FN3O2 — CID 70335653

IUPAC(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCNC(=O)[C@@]1(NC(=O)C[C@H](N)Cc2ccccc2F)CCc2ccccc2C1
InChIInChI=1S/C22H26FN3O2/c1-25-21(28)22(11-10-15-6-2-3-8-17(15)14-22)26-20(27)13-18(24)12-16-7-4-5-9-19(16)23/h2-9,18H,10-14,24H2,1H3,(H,25,28)(H,26,27)/t18-,22-/m1/s1
InChIKeyROBILNWUIZTJKG-XMSQKQJNSA-N
MW383.47 g/mol
LogP1.88
Rot. Bonds6

About (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 70335653) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID70335653
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCNC(=O)[C@@]1(NC(=O)C[C@H](N)Cc2ccccc2F)CCc2ccccc2C1
InChIInChI=1S/C22H26FN3O2/c1-25-21(28)22(11-10-15-6-2-3-8-17(15)14-22)26-20(27)13-18(24)12-16-7-4-5-9-19(16)23/h2-9,18H,10-14,24H2,1H3,(H,25,28)(H,26,27)/t18-,22-/m1/s1
InChIKeyROBILNWUIZTJKG-XMSQKQJNSA-N
XLogP1.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 70335653) is (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is CNC(=O)[C@@]1(NC(=O)C[C@H](N)Cc2ccccc2F)CCc2ccccc2C1.
What is the InChIKey of (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is ROBILNWUIZTJKG-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-25-21(28)22(11-10-15-6-2-3-8-17(15)14-22)26-20(27)13-18(24)12-16-7-4-5-9-19(16)23/h2-9,18H,10-14,24H2,1H3,(H,25,28)(H,26,27)/t18-,22-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
(2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-N-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 70335653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).