2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide

C11H11ClF2N2O3 — CID 43329114

IUPAC2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-4-2-3-5-8(7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18)
InChIKeyIOIHIXJVRDWEGN-UHFFFAOYSA-N
MW292.67 g/mol
LogP2.56
Rot. Bonds4

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

2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide (PubChem CID 43329114) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
PubChem CID43329114
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC Name2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-4-2-3-5-8(7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18)
InChIKeyIOIHIXJVRDWEGN-UHFFFAOYSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 52.56
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

(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
1-[2-(difluoromethoxy)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473215
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
CID 47135412
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide (CID 43329114) is 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The InChIKey is IOIHIXJVRDWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-4-2-3-5-8(7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide?
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide has a molecular weight of 292.67 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide is sourced from PubChem (CID 43329114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).