N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide

C12H16ClFN2O — CID 112734747

IUPACN-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(NC(=O)CNC(C)C)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-7(2)15-6-12(17)16-11-4-8(3)10(14)5-9(11)13/h4-5,7,15H,6H2,1-3H3,(H,16,17)
InChIKeyOAKDKNZORBDTHV-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.72
Rot. Bonds4

About N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide

N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 112734747) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID112734747
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(NC(=O)CNC(C)C)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-7(2)15-6-12(17)16-11-4-8(3)10(14)5-9(11)13/h4-5,7,15H,6H2,1-3H3,(H,16,17)
InChIKeyOAKDKNZORBDTHV-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
(2R)-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]propanoic acid
CID 83194030
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
2-carbamothioyl-N-(2-chloro-4-fluoro-5-methylphenyl)butanamide
CID 112734756
N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
CID 130299682
N-(4,5-dimethyl-2-nitrophenyl)-2-(propan-2-ylamino)acetamide
CID 60641044
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 112734747) is N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide is Cc1cc(NC(=O)CNC(C)C)c(Cl)cc1F.
What is the InChIKey of N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is OAKDKNZORBDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-7(2)15-6-12(17)16-11-4-8(3)10(14)5-9(11)13/h4-5,7,15H,6H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 258.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 112734747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).