4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide

C22H22F2N2O — CID 71203866

IUPAC4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(F)c2F)c2cccc(C)c12
InChIInChI=1S/C22H22F2N2O/c1-4-26(5-2)22(27)16-12-13-18(15-9-6-8-14(3)20(15)16)25-19-11-7-10-17(23)21(19)24/h6-13,25H,4-5H2,1-3H3
InChIKeySGDBMMNCPJSMSW-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.65
Rot. Bonds5

About 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide

4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide (PubChem CID 71203866) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide
PubChem CID71203866
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cccc(F)c2F)c2cccc(C)c12
InChIInChI=1S/C22H22F2N2O/c1-4-26(5-2)22(27)16-12-13-18(15-9-6-8-14(3)20(15)16)25-19-11-7-10-17(23)21(19)24/h6-13,25H,4-5H2,1-3H3
InChIKeySGDBMMNCPJSMSW-UHFFFAOYSA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoroanilino)-N,N-diethyl-5-methylisoquinoline-4-carboxamide
CID 71186144
4-(2,3-dimethylanilino)-N,N,8-trimethylnaphthalene-1-carboxamide
CID 71186183
4-[3-fluoro-2-(trifluoromethyl)anilino]-N,N,8-trimethylnaphthalene-1-carboxamide
CID 71204125
N,N-diethyl-1-[3-fluoro-2-(trifluoromethyl)anilino]-5-methylisoquinoline-4-carboxamide
CID 71187217
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,N-diethyl-2-(naphthalen-1-ylamino)benzamide
CID 86200085
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
1-(3,5-difluoroanilino)-N,N-diethyl-5-methylisoquinoline-4-carboxamide
CID 71186034
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide?
The IUPAC name of 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide (CID 71203866) is 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide?
The canonical SMILES for 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide is CCN(CC)C(=O)c1ccc(Nc2cccc(F)c2F)c2cccc(C)c12.
What is the InChIKey of 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide?
The InChIKey is SGDBMMNCPJSMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-4-26(5-2)22(27)16-12-13-18(15-9-6-8-14(3)20(15)16)25-19-11-7-10-17(23)21(19)24/h6-13,25H,4-5H2,1-3H3.
What are the key properties of 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide?
4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoroanilino)-N,N-diethyl-8-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 71203866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).