N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide

C15H20ClF3N2O — CID 109032309

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O/c1-2-3-4-8-20-9-7-14(22)21-11-5-6-13(16)12(10-11)15(17,18)19/h5-6,10,20H,2-4,7-9H2,1H3,(H,21,22)
InChIKeyBJPBWQAHANQDAU-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.47
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide (PubChem CID 109032309) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
PubChem CID109032309
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O/c1-2-3-4-8-20-9-7-14(22)21-11-5-6-13(16)12(10-11)15(17,18)19/h5-6,10,20H,2-4,7-9H2,1H3,(H,21,22)
InChIKeyBJPBWQAHANQDAU-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.47
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

3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022550
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
3-[acetyl(propyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113115089
2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 113158787
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]hex-4-ynamide
CID 2287537
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide (CID 109032309) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide?
The InChIKey is BJPBWQAHANQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O/c1-2-3-4-8-20-9-7-14(22)21-11-5-6-13(16)12(10-11)15(17,18)19/h5-6,10,20H,2-4,7-9H2,1H3,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide has a molecular weight of 336.79 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide is sourced from PubChem (CID 109032309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).