N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

C12H13ClF3NO3 — CID 170831311

IUPACN-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H13ClF3NO3/c1-6(18)17-5-9(19)11(20)7-3-2-4-8(10(7)13)12(14,15)16/h2-4,9,11,19-20H,5H2,1H3,(H,17,18)
InChIKeyHHFAQWIUKNVRPK-UHFFFAOYSA-N
MW311.69 g/mol
LogP1.89
Rot. Bonds4

About N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170831311) has the molecular formula C12H13ClF3NO3 and a molecular weight of 311.69 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170831311
Molecular FormulaC12H13ClF3NO3
Molecular Weight311.69 g/mol
Exact Mass311.05
IUPAC NameN-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C12H13ClF3NO3/c1-6(18)17-5-9(19)11(20)7-3-2-4-8(10(7)13)12(14,15)16/h2-4,9,11,19-20H,5H2,1H3,(H,17,18)
InChIKeyHHFAQWIUKNVRPK-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171857175
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170829262
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
methyl 3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoate
CID 170830610

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (CID 170831311) is N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is HHFAQWIUKNVRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO3/c1-6(18)17-5-9(19)11(20)7-3-2-4-8(10(7)13)12(14,15)16/h2-4,9,11,19-20H,5H2,1H3,(H,17,18).
What are the key properties of N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 311.69 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).