N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide

C19H21F2N3O3 — CID 60557932

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
SMILESCC(C)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C(N)=O
InChIInChI=1S/C19H21F2N3O3/c1-19(2,17(22)26)11-23-16(25)14-5-3-4-6-15(14)24-12-7-9-13(10-8-12)27-18(20)21/h3-10,18,24H,11H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyMWVQYDINDKKHPH-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.27
Rot. Bonds8

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide (PubChem CID 60557932) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
PubChem CID60557932
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
SMILESCC(C)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C(N)=O
InChIInChI=1S/C19H21F2N3O3/c1-19(2,17(22)26)11-23-16(25)14-5-3-4-6-15(14)24-12-7-9-13(10-8-12)27-18(20)21/h3-10,18,24H,11H2,1-2H3,(H2,22,26)(H,23,25)
InChIKeyMWVQYDINDKKHPH-UHFFFAOYSA-N
XLogP3.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
CID 56535734
2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55965688
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
2-[[4-(difluoromethoxy)benzoyl]amino]-N-ethylbenzamide
CID 35302926
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86846352
2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
CID 119425043
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 55518556
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide (CID 60557932) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide is CC(C)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide?
The InChIKey is MWVQYDINDKKHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-19(2,17(22)26)11-23-16(25)14-5-3-4-6-15(14)24-12-7-9-13(10-8-12)27-18(20)21/h3-10,18,24H,11H2,1-2H3,(H2,22,26)(H,23,25).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide has a molecular weight of 377.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide is sourced from PubChem (CID 60557932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).