N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide

C12H11ClF4N2O2 — CID 103733189

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H11ClF4N2O2/c1-2-9(20)18-6-3-4-7(13)8(5-6)19-11(21)12(16,17)10(14)15/h3-5,10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLQNIGAWPJKVOE-UHFFFAOYSA-N
MW326.68 g/mol
LogP3.53
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide

N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733189) has the molecular formula C12H11ClF4N2O2 and a molecular weight of 326.68 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103733189
Molecular FormulaC12H11ClF4N2O2
Molecular Weight326.68 g/mol
Exact Mass326.04
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H11ClF4N2O2/c1-2-9(20)18-6-3-4-7(13)8(5-6)19-11(21)12(16,17)10(14)15/h3-5,10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyNLQNIGAWPJKVOE-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.68
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide (CID 103733189) is N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is NLQNIGAWPJKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF4N2O2/c1-2-9(20)18-6-3-4-7(13)8(5-6)19-11(21)12(16,17)10(14)15/h3-5,10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 326.68 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).