2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide

C11H11ClF2N2O3 — CID 43328949

IUPAC2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-2-4-8(5-3-7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18)
InChIKeyCSWKUXJIZCRXQZ-UHFFFAOYSA-N
MW292.67 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide

2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide (PubChem CID 43328949) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
PubChem CID43328949
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC Name2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-2-4-8(5-3-7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18)
InChIKeyCSWKUXJIZCRXQZ-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

1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
(2S)-N-tert-butyl-2-[[4-(difluoromethoxy)phenyl]carbamoylamino]propanamide
CID 95298417
1-[4-(difluoromethoxy)phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452793
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide (CID 43328949) is 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide?
The InChIKey is CSWKUXJIZCRXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c1-6(12)9(17)16-11(18)15-7-2-4-8(5-3-7)19-10(13)14/h2-6,10H,1H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide?
2-chloro-N-[[4-(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-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide is sourced from PubChem (CID 43328949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).