N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C19H19F3N4O3 — CID 30886215

IUPACN-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-9-7-15(8-10-16)25-26-18(28)23-11-12-1-5-14(6-2-12)24-17(27)13-3-4-13/h1-2,5-10,13,25H,3-4,11H2,(H,24,27)(H2,23,26,28)
InChIKeyLACCNXDEWIRCAR-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.76
Rot. Bonds7

About N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 30886215) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID30886215
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-9-7-15(8-10-16)25-26-18(28)23-11-12-1-5-14(6-2-12)24-17(27)13-3-4-13/h1-2,5-10,13,25H,3-4,11H2,(H,24,27)(H2,23,26,28)
InChIKeyLACCNXDEWIRCAR-UHFFFAOYSA-N
XLogP3.76
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 30886356
4-[4-[[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]butanoic acid
CID 67488219
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
CID 24811032
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 30886215) is N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is LACCNXDEWIRCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-9-7-15(8-10-16)25-26-18(28)23-11-12-1-5-14(6-2-12)24-17(27)13-3-4-13/h1-2,5-10,13,25H,3-4,11H2,(H,24,27)(H2,23,26,28).
What are the key properties of N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30886215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).