N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C20H21F3N4O2 — CID 4015085

IUPACN-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C20H21F3N4O2/c1-27(2)17-9-8-15(11-16(17)18(28)24-13-6-7-13)26-19(29)25-14-5-3-4-12(10-14)20(21,22)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyOLGXIVDBZPEPHL-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.31
Rot. Bonds5

About N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 4015085) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID4015085
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C20H21F3N4O2/c1-27(2)17-9-8-15(11-16(17)18(28)24-13-6-7-13)26-19(29)25-14-5-3-4-12(10-14)20(21,22)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyOLGXIVDBZPEPHL-UHFFFAOYSA-N
XLogP4.31
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 3900992
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 4015085) is N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is CN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is OLGXIVDBZPEPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-27(2)17-9-8-15(11-16(17)18(28)24-13-6-7-13)26-19(29)25-14-5-3-4-12(10-14)20(21,22)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 406.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 4015085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).