3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide

C13H16Cl2FNO — CID 106354949

IUPAC3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
SMILESCC(C)C(CCCl)NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16Cl2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyILXUBJPVUIKCRN-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.86
Rot. Bonds5

About 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide

3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide (PubChem CID 106354949) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
PubChem CID106354949
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
SMILESCC(C)C(CCCl)NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16Cl2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyILXUBJPVUIKCRN-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
(2R)-2-[(3-chloro-2-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926381
N-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353786
2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
CID 106354942
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-chloro-2-fluorobenzamide
CID 81262458
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide (CID 106354949) is 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide is CC(C)C(CCCl)NC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide?
The InChIKey is ILXUBJPVUIKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO/c1-8(2)11(6-7-14)17-13(18)9-4-3-5-10(15)12(9)16/h3-5,8,11H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide?
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide has a molecular weight of 292.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 106354949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).