2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride

C16H15Cl2F3N2O — CID 142661724

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H14ClF3N2O.ClH/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10;/h1-7,22H,8-9H2,(H2,21,23);1H
InChIKeyIRGBMFAPTSANOK-UHFFFAOYSA-N
MW379.21 g/mol
LogP4.13
Rot. Bonds6

About 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride

2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 142661724) has the molecular formula C16H15Cl2F3N2O and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
PubChem CID142661724
Molecular FormulaC16H15Cl2F3N2O
Molecular Weight379.21 g/mol
Exact Mass378.05
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F
InChIInChI=1S/C16H14ClF3N2O.ClH/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10;/h1-7,22H,8-9H2,(H2,21,23);1H
InChIKeyIRGBMFAPTSANOK-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride with MolForge

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Related Compounds

tert-butyl N-[5-[[[2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 22475356
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
4-chloro-N-[2,2-difluoro-2-(4-fluoronaphthalen-1-yl)ethyl]-3-ethyl-2-fluoroaniline
CID 142133825
6-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethyl-2-methylaniline;ethanamine
CID 143097472
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
2-[3-[[2-(3-chlorophenyl)-2,2-difluoroethyl]amino]-6-cyano-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11225163
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463
2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
CID 116789232
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850
N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
CID 116788704
butanedioic acid;7-chloro-N-(2,2-difluoro-2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 67382258

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride (CID 142661724) is 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride is Cl.NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is IRGBMFAPTSANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O.ClH/c17-12-6-7-13(15(18)11(12)8-14(21)23)22-9-16(19,20)10-4-2-1-3-5-10;/h1-7,22H,8-9H2,(H2,21,23);1H.
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride?
2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 379.21 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 142661724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).