2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide

C9H8ClF3N2O — CID 116699767

IUPAC2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3N2O/c10-6-1-5(9(11,12)13)2-7(3-6)15-8(16)4-14/h1-3H,4,14H2,(H,15,16)
InChIKeyYRSVWYOONQSZBL-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.26
Rot. Bonds2

About 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide

2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 116699767) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID116699767
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3N2O/c10-6-1-5(9(11,12)13)2-7(3-6)15-8(16)4-14/h1-3H,4,14H2,(H,15,16)
InChIKeyYRSVWYOONQSZBL-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
CID 116699799
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide
CID 116699598
4-amino-5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116699614
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
3-[3-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-sulfanylidenepropanamide
CID 135079493

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 116699767) is 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide is NCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YRSVWYOONQSZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-6-1-5(9(11,12)13)2-7(3-6)15-8(16)4-14/h1-3H,4,14H2,(H,15,16).
What are the key properties of 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 252.62 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 116699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).