N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

C21H19F2NO — CID 127031794

IUPACN-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19F2NO/c1-14(2)24(13-15-7-10-19(22)20(23)11-15)21(25)18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3
InChIKeyPGXNNFRHYYEMJU-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.17
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 127031794) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID127031794
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19F2NO/c1-14(2)24(13-15-7-10-19(22)20(23)11-15)21(25)18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3
InChIKeyPGXNNFRHYYEMJU-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
CID 127053278
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
[4-[[[(2R)-butan-2-yl]-(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7499303
N-(2-bromoethyl)-3,4-difluoro-N-propan-2-ylbenzamide
CID 80665985
(E)-3-[4-[benzyl(propan-2-yl)carbamoyl]-2-fluorophenyl]prop-2-enoic acid
CID 113227314
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 17405821
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
CID 142975149
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
2-[[(3,4-difluorophenyl)methyl-propan-2-ylamino]methyl]-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 127047328

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 127031794) is N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is PGXNNFRHYYEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO/c1-14(2)24(13-15-7-10-19(22)20(23)11-15)21(25)18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 127031794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).