N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide

C25H25F3N2O2 — CID 142975149

IUPACN-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
SMILESCCN(CC(C)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1)C(=O)C(F)(F)F
InChIInChI=1S/C25H25F3N2O2/c1-3-29(24(32)25(26,27)28)16-18(2)30(17-19-9-5-4-6-10-19)23(31)22-14-13-20-11-7-8-12-21(20)15-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeyHJFXSAVYPJNNFR-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.28
Rot. Bonds7

About N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide

N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide (PubChem CID 142975149) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
PubChem CID142975149
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC NameN-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
SMILESCCN(CC(C)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1)C(=O)C(F)(F)F
InChIInChI=1S/C25H25F3N2O2/c1-3-29(24(32)25(26,27)28)16-18(2)30(17-19-9-5-4-6-10-19)23(31)22-14-13-20-11-7-8-12-21(20)15-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeyHJFXSAVYPJNNFR-UHFFFAOYSA-N
XLogP5.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[[(2R)-butan-2-yl]-(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7499303
N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 127031794
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 3573105
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 3686088
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 1059752
[3-[[butan-2-yl(naphthalene-2-carbonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4066180
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
CID 101420870
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide
CID 142053395
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide (CID 142975149) is N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide is CCN(CC(C)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1)C(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is HJFXSAVYPJNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c1-3-29(24(32)25(26,27)28)16-18(2)30(17-19-9-5-4-6-10-19)23(31)22-14-13-20-11-7-8-12-21(20)15-22/h4-15,18H,3,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide?
N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 142975149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).