N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide

C17H14F6N2O2 — CID 570257

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide
SMILESCOc1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c1-27-13-9-7-12(8-10-13)24-15(16(18,19)20,17(21,22)23)25-14(26)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,25,26)
InChIKeyLSSGJDZCKNOISJ-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.36
Rot. Bonds5

About N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide

N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide (PubChem CID 570257) has the molecular formula C17H14F6N2O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide
PubChem CID570257
Molecular FormulaC17H14F6N2O2
Molecular Weight392.30 g/mol
Exact Mass392.10
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide
SMILESCOc1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O2/c1-27-13-9-7-12(8-10-13)24-15(16(18,19)20,17(21,22)23)25-14(26)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,25,26)
InChIKeyLSSGJDZCKNOISJ-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dichloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
CID 2729388
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
N-[2-[(5-bromo-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
CID 4133912
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 2817483
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
ethyl (2S)-2-anilino-2-benzamido-3,3,3-trifluoropropanoate
CID 7195837
N-[2-(3-chloro-2-methylanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 3823783
methyl (2S)-2-benzamido-2-bromo-3,3,3-trifluoropropanoate
CID 101241069
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 2380112
ethyl 2-(3-acetylanilino)-3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]propanoate
CID 4103973

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide (CID 570257) is N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide is COc1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide?
The InChIKey is LSSGJDZCKNOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O2/c1-27-13-9-7-12(8-10-13)24-15(16(18,19)20,17(21,22)23)25-14(26)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,25,26).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide?
N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide has a molecular weight of 392.30 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide is sourced from PubChem (CID 570257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).