N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide

C15H20F3N3O2 — CID 71992715

IUPACN-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)20-13(22)9-11-3-5-12(6-4-11)21-14(23)19-8-7-15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyWMSKYBVFZQXVAX-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.83
Rot. Bonds6

About N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide

N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide (PubChem CID 71992715) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide
PubChem CID71992715
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)NCCC(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)20-13(22)9-11-3-5-12(6-4-11)21-14(23)19-8-7-15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyWMSKYBVFZQXVAX-UHFFFAOYSA-N
XLogP2.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
2-[4-(propylcarbamoylamino)phenyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
CID 86971920
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
N-[4-[[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 109473577
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide (CID 71992715) is N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide is CC(C)NC(=O)Cc1ccc(NC(=O)NCCC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide?
The InChIKey is WMSKYBVFZQXVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(2)20-13(22)9-11-3-5-12(6-4-11)21-14(23)19-8-7-15(16,17)18/h3-6,10H,7-9H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide?
N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(3,3,3-trifluoropropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 71992715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).