N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide

C17H18ClFN2O — CID 130299682

IUPACN-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F
InChIInChI=1S/C17H18ClFN2O/c1-11(2)20-10-16(22)21-15-9-5-7-13(17(15)19)12-6-3-4-8-14(12)18/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyGOWKVLCYGFGURY-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.08
Rot. Bonds5

About N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide

N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 130299682) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
PubChem CID130299682
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F
InChIInChI=1S/C17H18ClFN2O/c1-11(2)20-10-16(22)21-15-9-5-7-13(17(15)19)12-6-3-4-8-14(12)18/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyGOWKVLCYGFGURY-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-1-[3-(2-chlorophenyl)-2-fluoroanilino]-3-hydroxy-1-oxobutan-2-yl] carbamate
CID 126622686
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 123475195
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 8710371
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide (CID 130299682) is N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cccc(-c2ccccc2Cl)c1F.
What is the InChIKey of N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is GOWKVLCYGFGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11(2)20-10-16(22)21-15-9-5-7-13(17(15)19)12-6-3-4-8-14(12)18/h3-9,11,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide?
N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 320.80 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 130299682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).