N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide

C20H20F3N3O2 — CID 112767635

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)26-17-7-2-1-6-16(17)19(28)25-11-10-24-18(27)13-8-9-13/h1-7,12-13,26H,8-11H2,(H,24,27)(H,25,28)
InChIKeyUXPAPJZJEGKWJR-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 112767635) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID112767635
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)26-17-7-2-1-6-16(17)19(28)25-11-10-24-18(27)13-8-9-13/h1-7,12-13,26H,8-11H2,(H,24,27)(H,25,28)
InChIKeyUXPAPJZJEGKWJR-UHFFFAOYSA-N
XLogP3.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.70
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

N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 166247033
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 56558972
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
N-[3-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 68821045
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide (CID 112767635) is N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide is O=C(NCCNC(=O)C1CC1)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is UXPAPJZJEGKWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)26-17-7-2-1-6-16(17)19(28)25-11-10-24-18(27)13-8-9-13/h1-7,12-13,26H,8-11H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 391.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 112767635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).