N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide

C26H29FN2O — CID 67105915

IUPACN-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
SMILESCCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)cc1C
InChIInChI=1S/C26H29FN2O/c1-5-28-24-15-23(27)22(12-16(24)2)17(3)29-25(30)20-7-6-19-14-21(26(4)10-11-26)9-8-18(19)13-20/h6-9,12-15,17,28H,5,10-11H2,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyDZOSXCGIAJYMHH-QGZVFWFLSA-N
MW404.53 g/mol
LogP6.26
Rot. Bonds6

About N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide

N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide (PubChem CID 67105915) has the molecular formula C26H29FN2O and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
PubChem CID67105915
Molecular FormulaC26H29FN2O
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC NameN-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
SMILESCCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)cc1C
InChIInChI=1S/C26H29FN2O/c1-5-28-24-15-23(27)22(12-16(24)2)17(3)29-25(30)20-7-6-19-14-21(26(4)10-11-26)9-8-18(19)13-20/h6-9,12-15,17,28H,5,10-11H2,1-4H3,(H,29,30)/t17-/m1/s1
InChIKeyDZOSXCGIAJYMHH-QGZVFWFLSA-N
XLogP6.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
CID 66978096
N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 143579748
N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-fluoro-7-(trifluoromethyl)quinoline-3-carboxamide
CID 67105726
6-cyclopropyl-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25008478
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide
CID 25008134
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-[5-(trifluoromethyl)pyrazol-1-yl]naphthalene-2-carboxamide
CID 67105470
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
CID 66977995
ethyl 4-[6-[1-[4-(ethylsulfonylamino)-2-fluoro-5-methylphenyl]ethylcarbamoyl]-2-(trifluoromethyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 69091041
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-(3-hydroxypropylamino)-2-(trifluoromethyl)quinazoline-6-carboxamide
CID 67105702

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide (CID 67105915) is N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide is CCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)cc1C.
What is the InChIKey of N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide?
The InChIKey is DZOSXCGIAJYMHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H29FN2O/c1-5-28-24-15-23(27)22(12-16(24)2)17(3)29-25(30)20-7-6-19-14-21(26(4)10-11-26)9-8-18(19)13-20/h6-9,12-15,17,28H,5,10-11H2,1-4H3,(H,29,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide?
N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 67105915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).