1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide

C14H16F3N3O3 — CID 99780583

IUPAC1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide
SMILESNC(=O)NC1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)23-8-7-19-11(21)13(5-6-13)20-12(18)22/h1-4H,5-8H2,(H,19,21)(H3,18,20,22)
InChIKeyKONDJMPJOOCMEK-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.40
Rot. Bonds6

About 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide

1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide (PubChem CID 99780583) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide
PubChem CID99780583
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide
SMILESNC(=O)NC1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)23-8-7-19-11(21)13(5-6-13)20-12(18)22/h1-4H,5-8H2,(H,19,21)(H3,18,20,22)
InChIKeyKONDJMPJOOCMEK-UHFFFAOYSA-N
XLogP1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
(2S)-2-amino-4-methylsulfanyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119296677
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
4-(1,3-dithiolan-2-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 122157598
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
1,1-dioxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]thiolane-3-carboxamide
CID 55803512

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide (CID 99780583) is 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide is NC(=O)NC1(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide?
The InChIKey is KONDJMPJOOCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)23-8-7-19-11(21)13(5-6-13)20-12(18)22/h1-4H,5-8H2,(H,19,21)(H3,18,20,22).
What are the key properties of 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide?
1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99780583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).