N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide

C12H16ClFN2O2 — CID 168638760

IUPACN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(F)cc1NCC(O)CCl
InChIInChI=1S/C12H16ClFN2O2/c1-7-3-9(14)4-11(12(7)16-8(2)17)15-6-10(18)5-13/h3-4,10,15,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyBJIPQZYJRDHHDT-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.10
Rot. Bonds5

About N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide (PubChem CID 168638760) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
PubChem CID168638760
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(F)cc1NCC(O)CCl
InChIInChI=1S/C12H16ClFN2O2/c1-7-3-9(14)4-11(12(7)16-8(2)17)15-6-10(18)5-13/h3-4,10,15,18H,5-6H2,1-2H3,(H,16,17)
InChIKeyBJIPQZYJRDHHDT-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
1-chloro-3-(4-fluoro-2-methyl-6-nitroanilino)propan-2-ol
CID 168636563
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
2-[(3-chloro-2-hydroxypropyl)amino]-4,5-difluorobenzoic acid
CID 168636336
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962
1-chloro-3-(2-chloro-3-methyl-5-methylsulfonylanilino)propan-2-ol
CID 168638776
1-chloro-3-(2,4-dimethyl-5-methylsulfonylanilino)propan-2-ol
CID 168637485
N-(2-fluoro-4,6-dimethylphenyl)acetamide
CID 126993830
1-chloro-3-(5-fluoro-2-pentan-3-yloxyanilino)propan-2-ol
CID 168638738
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide?
The IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide (CID 168638760) is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide is CC(=O)Nc1c(C)cc(F)cc1NCC(O)CCl.
What is the InChIKey of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide?
The InChIKey is BJIPQZYJRDHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-7-3-9(14)4-11(12(7)16-8(2)17)15-6-10(18)5-13/h3-4,10,15,18H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide?
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide has a molecular weight of 274.72 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide is sourced from PubChem (CID 168638760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).