(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide

C10H9ClF3NO2 — CID 2304863

IUPAC(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9ClF3NO2/c1-6(11)9(16)15-7-2-4-8(5-3-7)17-10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyYVFWBXRZKCHTLV-LURJTMIESA-N
MW267.63 g/mol
LogP3.15
Rot. Bonds3

About (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 2304863) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID2304863
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9ClF3NO2/c1-6(11)9(16)15-7-2-4-8(5-3-7)17-10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyYVFWBXRZKCHTLV-LURJTMIESA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168907
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 2304863) is (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide is C[C@H](Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is YVFWBXRZKCHTLV-LURJTMIESA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-6(11)9(16)15-7-2-4-8(5-3-7)17-10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 267.63 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 2304863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).