2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide

C20H19ClFN5O — CID 59216239

IUPAC2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide
SMILESCn1c(-c2ccc(NCC(N)=O)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN5O/c1-27-18(15-7-6-14(10-16(15)21)24-11-17(23)28)25-26-19(27)20(8-9-20)12-2-4-13(22)5-3-12/h2-7,10,24H,8-9,11H2,1H3,(H2,23,28)
InChIKeyOKYRUAGJGYQNBG-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.25
Rot. Bonds6

About 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide

2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide (PubChem CID 59216239) has the molecular formula C20H19ClFN5O and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide
PubChem CID59216239
Molecular FormulaC20H19ClFN5O
Molecular Weight399.86 g/mol
Exact Mass399.13
IUPAC Name2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide
SMILESCn1c(-c2ccc(NCC(N)=O)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN5O/c1-27-18(15-7-6-14(10-16(15)21)24-11-17(23)28)25-26-19(27)20(8-9-20)12-2-4-13(22)5-3-12/h2-7,10,24H,8-9,11H2,1H3,(H2,23,28)
InChIKeyOKYRUAGJGYQNBG-UHFFFAOYSA-N
XLogP3.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol
CID 59216099
3-(2-chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole;hydrochloride
CID 162314574
4-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]morpholine
CID 59216265
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]benzoic acid
CID 59216086
N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide
CID 11155538
methyl 1-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]piperidine-4-carboxylate
CID 59216060
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
CID 59216151
2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
2-[[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79018402
3-[2-chloro-4-(2-methylsulfanylimidazol-1-yl)phenyl]-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
CID 44576942
2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide
CID 59216065
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide?
The IUPAC name of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide (CID 59216239) is 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide.
What is the SMILES notation for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide?
The canonical SMILES for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide is Cn1c(-c2ccc(NCC(N)=O)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide?
The InChIKey is OKYRUAGJGYQNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O/c1-27-18(15-7-6-14(10-16(15)21)24-11-17(23)28)25-26-19(27)20(8-9-20)12-2-4-13(22)5-3-12/h2-7,10,24H,8-9,11H2,1H3,(H2,23,28).
What are the key properties of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide?
2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide has a molecular weight of 399.86 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide is sourced from PubChem (CID 59216239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).