N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

C10H9ClF3NO2 — CID 87336288

IUPACN-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1ccc(C(=O)NCl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-6(10(12,13)14)17-8-4-2-7(3-5-8)9(16)15-11/h2-6H,1H3,(H,15,16)
InChIKeyBDOGZVCBBWSNEI-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.90
Rot. Bonds3

About N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 87336288) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID87336288
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC NameN-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1ccc(C(=O)NCl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-6(10(12,13)14)17-8-4-2-7(3-5-8)9(16)15-11/h2-6H,1H3,(H,15,16)
InChIKeyBDOGZVCBBWSNEI-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338
1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
CID 66274601
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 87336288) is N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1ccc(C(=O)NCl)cc1)C(F)(F)F.
What is the InChIKey of N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is BDOGZVCBBWSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-6(10(12,13)14)17-8-4-2-7(3-5-8)9(16)15-11/h2-6H,1H3,(H,15,16).
What are the key properties of N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 267.63 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 87336288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).