2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide

C11H10ClF3N2O3 — CID 43328961

IUPAC2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O3/c1-6(12)9(18)17-10(19)16-7-3-2-4-8(5-7)20-11(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyXCQRMQIHCDPXBW-UHFFFAOYSA-N
MW310.66 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide

2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide (PubChem CID 43328961) has the molecular formula C11H10ClF3N2O3 and a molecular weight of 310.66 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
PubChem CID43328961
Molecular FormulaC11H10ClF3N2O3
Molecular Weight310.66 g/mol
Exact Mass310.03
IUPAC Name2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O3/c1-6(12)9(18)17-10(19)16-7-3-2-4-8(5-7)20-11(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyXCQRMQIHCDPXBW-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide (CID 43328961) is 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide?
The InChIKey is XCQRMQIHCDPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3/c1-6(12)9(18)17-10(19)16-7-3-2-4-8(5-7)20-11(13,14)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide?
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide has a molecular weight of 310.66 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide is sourced from PubChem (CID 43328961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).