7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide

C14H18ClF3N2O — CID 116699799

IUPAC7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c15-11-7-10(14(16,17)18)8-12(9-11)20-13(21)5-3-1-2-4-6-19/h7-9H,1-6,19H2,(H,20,21)
InChIKeyYVICZVHQXLLWAN-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.21
Rot. Bonds7

About 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide

7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide (PubChem CID 116699799) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
PubChem CID116699799
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c15-11-7-10(14(16,17)18)8-12(9-11)20-13(21)5-3-1-2-4-6-19/h7-9H,1-6,19H2,(H,20,21)
InChIKeyYVICZVHQXLLWAN-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.21
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

6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
CID 65491997
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide (CID 116699799) is 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide is NCCCCCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide?
The InChIKey is YVICZVHQXLLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c15-11-7-10(14(16,17)18)8-12(9-11)20-13(21)5-3-1-2-4-6-19/h7-9H,1-6,19H2,(H,20,21).
What are the key properties of 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide?
7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide has a molecular weight of 322.76 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide is sourced from PubChem (CID 116699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).