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

C24H25F3N2O2 — CID 155213862

IUPACN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(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/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1
InChIKeyHLRJUGBIFHJWJM-MRXNPFEDSA-N
MW430.47 g/mol
LogP5.72
Rot. Bonds7

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

N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155213862) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155213862
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(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/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1
InChIKeyHLRJUGBIFHJWJM-MRXNPFEDSA-N
XLogP5.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
CID 122566
YAP/TAZ inhibitor-3
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Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
GT-0198
CID 71584823
3-[4-(3,5-Difluorophenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10368531
N-[2-(7-methoxy-3-benzoylnaphth-1-yl)ethyl]acetamide
CID 15289276
3-[2-[({3-Methyl-1-[3-(trifluoromethyl)phenyl]butyl}-amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017610
3-[2-[({3-Methyl-1-[4-(trifluoromethyl)phenyl]butyl}-amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017621
N-[2-(3-(3-Formylphenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579259
3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]benzoic acid methyl ester
CID 44579260
US10174000, Example 27
CID 126622195

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155213862) is N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is HLRJUGBIFHJWJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(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/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155213862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).