2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C26H26F2N4O4 — CID 55518556

IUPAC2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C26H26F2N4O4/c27-26(28)36-21-11-9-18(10-12-21)29-23-4-2-1-3-22(23)25(34)31-20-7-5-19(6-8-20)30-24(33)17-32-13-15-35-16-14-32/h1-12,26,29H,13-17H2,(H,30,33)(H,31,34)
InChIKeyOAVVMKZPWJMVFL-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.55
Rot. Bonds9

About 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 55518556) has the molecular formula C26H26F2N4O4 and a molecular weight of 496.51 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID55518556
Molecular FormulaC26H26F2N4O4
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C26H26F2N4O4/c27-26(28)36-21-11-9-18(10-12-21)29-23-4-2-1-3-22(23)25(34)31-20-7-5-19(6-8-20)30-24(33)17-32-13-15-35-16-14-32/h1-12,26,29H,13-17H2,(H,30,33)(H,31,34)
InChIKeyOAVVMKZPWJMVFL-UHFFFAOYSA-N
XLogP4.55
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide
CID 29357190
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932791
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
CID 56535734
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 55518556) is 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is OAVVMKZPWJMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c27-26(28)36-21-11-9-18(10-12-21)29-23-4-2-1-3-22(23)25(34)31-20-7-5-19(6-8-20)30-24(33)17-32-13-15-35-16-14-32/h1-12,26,29H,13-17H2,(H,30,33)(H,31,34).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 496.51 g/mol, XLogP of 4.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 55518556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).