N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide

C17H18ClFN2O — CID 54823258

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-11(2)13-5-3-4-6-16(13)20-10-17(22)21-12-7-8-15(19)14(18)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyXGPSEKSMMGQQKA-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.65
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide (PubChem CID 54823258) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
PubChem CID54823258
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-11(2)13-5-3-4-6-16(13)20-10-17(22)21-12-7-8-15(19)14(18)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyXGPSEKSMMGQQKA-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
2-(2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 26507373
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42914150
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100097
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide (CID 54823258) is N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide is CC(C)c1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is XGPSEKSMMGQQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-11(2)13-5-3-4-6-16(13)20-10-17(22)21-12-7-8-15(19)14(18)9-12/h3-9,11,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 320.80 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 54823258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).