N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide

C12H15ClF2N2O2 — CID 61258739

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-16-6-2-3-11(18)17-8-4-5-10(9(13)7-8)19-12(14)15/h4-5,7,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyWUYSUTQJGZROPO-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.88
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide (PubChem CID 61258739) has the molecular formula C12H15ClF2N2O2 and a molecular weight of 292.71 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
PubChem CID61258739
Molecular FormulaC12H15ClF2N2O2
Molecular Weight292.71 g/mol
Exact Mass292.08
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O2/c1-16-6-2-3-11(18)17-8-4-5-10(9(13)7-8)19-12(14)15/h4-5,7,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyWUYSUTQJGZROPO-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
CID 60840814
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 119734504
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide (CID 61258739) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
The InChIKey is WUYSUTQJGZROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O2/c1-16-6-2-3-11(18)17-8-4-5-10(9(13)7-8)19-12(14)15/h4-5,7,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide has a molecular weight of 292.71 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).