2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide

C19H21F2N3O2 — CID 119425043

IUPAC2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-15-9-7-13(8-10-15)23-17-6-2-1-5-16(17)18(25)24-14-4-3-11-22-12-14/h1-2,5-10,14,19,22-23H,3-4,11-12H2,(H,24,25)
InChIKeyISXHOTQEWXMBKJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.51
Rot. Bonds6

About 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide

2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide (PubChem CID 119425043) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
PubChem CID119425043
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-15-9-7-13(8-10-15)23-17-6-2-1-5-16(17)18(25)24-14-4-3-11-22-12-14/h1-2,5-10,14,19,22-23H,3-4,11-12H2,(H,24,25)
InChIKeyISXHOTQEWXMBKJ-UHFFFAOYSA-N
XLogP3.51
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide (CID 119425043) is 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1ccccc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide?
The InChIKey is ISXHOTQEWXMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-19(21)26-15-9-7-13(8-10-15)23-17-6-2-1-5-16(17)18(25)24-14-4-3-11-22-12-14/h1-2,5-10,14,19,22-23H,3-4,11-12H2,(H,24,25).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide?
2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119425043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).