N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide

C13H17Cl2FN2O — CID 83079200

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-8(2)17-5-3-4-12(19)18-13-10(14)6-9(16)7-11(13)15/h6-8,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyBKZRSZOMIUUPCA-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.85
Rot. Bonds6

About N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide

N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide (PubChem CID 83079200) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
PubChem CID83079200
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-8(2)17-5-3-4-12(19)18-13-10(14)6-9(16)7-11(13)15/h6-8,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyBKZRSZOMIUUPCA-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-ylamino)butanamide
CID 60851320
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
4,5-difluoro-2-[4-(propan-2-ylamino)butanoylamino]benzoic acid
CID 62866446
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
1-(3,5-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 105411897
methyl 4-chloro-3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 60849231
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide (CID 83079200) is N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is BKZRSZOMIUUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O/c1-8(2)17-5-3-4-12(19)18-13-10(14)6-9(16)7-11(13)15/h6-8,17H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide?
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 307.20 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 83079200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).