N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C24H25F3N2O2 — CID 155213855

IUPACN-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCCNCC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-3-28-14-13-16(2)29-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16,28H,3,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1
InChIKeyDPTCRRAJVXNZCM-MRXNPFEDSA-N
MW430.47 g/mol
LogP5.77
Rot. Bonds8

About N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155213855) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155213855
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCCNCC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-3-28-14-13-16(2)29-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16,28H,3,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1
InChIKeyDPTCRRAJVXNZCM-MRXNPFEDSA-N
XLogP5.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155213855) is N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is CCNCC[C@@H](C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is DPTCRRAJVXNZCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-3-28-14-13-16(2)29-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16,28H,3,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(ethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155213855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).