2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide

C13H16ClF3N2O — CID 79796905

IUPAC2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-8(7-9-5-3-4-6-10(9)14)19-11(20)12(2,18)13(15,16)17/h3-6,8H,7,18H2,1-2H3,(H,19,20)
InChIKeySHEFFBOSMCGPRC-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79796905) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79796905
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-8(7-9-5-3-4-6-10(9)14)19-11(20)12(2,18)13(15,16)17/h3-6,8H,7,18H2,1-2H3,(H,19,20)
InChIKeySHEFFBOSMCGPRC-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide (CID 79796905) is 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide is CC(Cc1ccccc1Cl)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is SHEFFBOSMCGPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-8(7-9-5-3-4-6-10(9)14)19-11(20)12(2,18)13(15,16)17/h3-6,8H,7,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 308.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79796905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).