2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C17H21F3N4O3 — CID 27104198

IUPAC2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H21F3N4O3/c1-2-7-24(9-14(26)23-17(27)21-10-3-4-10)8-13(25)22-12-6-5-11(18)15(19)16(12)20/h5-6,10H,2-4,7-9H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeyKRPFARQSULPZMD-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.74
Rot. Bonds8

About 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 27104198) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID27104198
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H21F3N4O3/c1-2-7-24(9-14(26)23-17(27)21-10-3-4-10)8-13(25)22-12-6-5-11(18)15(19)16(12)20/h5-6,10H,2-4,7-9H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeyKRPFARQSULPZMD-UHFFFAOYSA-N
XLogP1.74
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221865
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27221599
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
4-(cyclohexylcarbamoylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbutanamide
CID 55515505
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 120980373
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 27104198) is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KRPFARQSULPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-2-7-24(9-14(26)23-17(27)21-10-3-4-10)8-13(25)22-12-6-5-11(18)15(19)16(12)20/h5-6,10H,2-4,7-9H2,1H3,(H,22,25)(H2,21,23,26,27).
What are the key properties of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 27104198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).