2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide

C10H8ClF3N2O2 — CID 62811714

IUPAC2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8ClF3N2O2/c1-4(11)9(17)16-10(18)15-5-2-6(12)8(14)7(13)3-5/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyYGZZFLFXQYGYJV-UHFFFAOYSA-N
MW280.63 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide

2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide (PubChem CID 62811714) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide
PubChem CID62811714
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC Name2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H8ClF3N2O2/c1-4(11)9(17)16-10(18)15-5-2-6(12)8(14)7(13)3-5/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyYGZZFLFXQYGYJV-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3,4,5-trifluorophenyl)urea
CID 111475074
(2S)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 25323299
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
3-amino-2-methyl-3-sulfanylidene-N-(3,4,5-trifluorophenyl)propanamide
CID 55119171
4-methyl-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 62812910

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide (CID 62811714) is 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide?
The InChIKey is YGZZFLFXQYGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-4(11)9(17)16-10(18)15-5-2-6(12)8(14)7(13)3-5/h2-4H,1H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide?
2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide has a molecular weight of 280.63 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4,5-trifluorophenyl)carbamoyl]propanamide is sourced from PubChem (CID 62811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).