2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

C18H15F4N3O2 — CID 60595910

IUPAC2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=O)NC1CC1c1cccc(F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F4N3O2/c19-10-3-1-2-9(6-10)11-7-14(11)25-18(27)23-8-15(26)24-13-5-4-12(20)16(21)17(13)22/h1-6,11,14H,7-8H2,(H,24,26)(H2,23,25,27)
InChIKeyKZOMEQNRCGUKBC-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.04
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 60595910) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID60595910
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=O)NC1CC1c1cccc(F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H15F4N3O2/c19-10-3-1-2-9(6-10)11-7-14(11)25-18(27)23-8-15(26)24-13-5-4-12(20)16(21)17(13)22/h1-6,11,14H,7-8H2,(H,24,26)(H2,23,25,27)
InChIKeyKZOMEQNRCGUKBC-UHFFFAOYSA-N
XLogP3.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]acetamide
CID 60595720
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
CID 95141368
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
1-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97320658
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 60595910) is 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNC(=O)NC1CC1c1cccc(F)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KZOMEQNRCGUKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c19-10-3-1-2-9(6-10)11-7-14(11)25-18(27)23-8-15(26)24-13-5-4-12(20)16(21)17(13)22/h1-6,11,14H,7-8H2,(H,24,26)(H2,23,25,27).
What are the key properties of 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 381.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 60595910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).