3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide

C10H12ClFN2O — CID 116850996

IUPAC3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
SMILESCc1cc(Cl)c(C(N)CC(N)=O)cc1F
InChIInChI=1S/C10H12ClFN2O/c1-5-2-7(11)6(3-8(5)12)9(13)4-10(14)15/h2-3,9H,4,13H2,1H3,(H2,14,15)
InChIKeyGPDDOACLAKGYSJ-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.66
Rot. Bonds3

About 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide

3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide (PubChem CID 116850996) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
PubChem CID116850996
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
SMILESCc1cc(Cl)c(C(N)CC(N)=O)cc1F
InChIInChI=1S/C10H12ClFN2O/c1-5-2-7(11)6(3-8(5)12)9(13)4-10(14)15/h2-3,9H,4,13H2,1H3,(H2,14,15)
InChIKeyGPDDOACLAKGYSJ-UHFFFAOYSA-N
XLogP1.66
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
3,4-diamino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoic acid
CID 116942886
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
CID 81049292
2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
CID 116849471
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934564
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide (CID 116850996) is 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide is Cc1cc(Cl)c(C(N)CC(N)=O)cc1F.
What is the InChIKey of 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide?
The InChIKey is GPDDOACLAKGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-5-2-7(11)6(3-8(5)12)9(13)4-10(14)15/h2-3,9H,4,13H2,1H3,(H2,14,15).
What are the key properties of 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide?
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide has a molecular weight of 230.67 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 116850996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).