2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide

C11H11ClF2N2O2 — CID 62228150

IUPAC2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H11ClF2N2O2/c1-6(12)10(17)16-11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyPBXROPXIUQUKJH-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.92
Rot. Bonds3

About 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide

2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide (PubChem CID 62228150) has the molecular formula C11H11ClF2N2O2 and a molecular weight of 276.67 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
PubChem CID62228150
Molecular FormulaC11H11ClF2N2O2
Molecular Weight276.67 g/mol
Exact Mass276.05
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H11ClF2N2O2/c1-6(12)10(17)16-11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyPBXROPXIUQUKJH-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 62227773
2-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65222000
(2S,3S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 62227396
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
CID 91233832
2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide
CID 91576928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide (CID 62228150) is 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide?
The InChIKey is PBXROPXIUQUKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O2/c1-6(12)10(17)16-11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide?
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide has a molecular weight of 276.67 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide is sourced from PubChem (CID 62228150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).