N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide

C13H16ClF3N2O — CID 62838644

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-3-18-8(2)6-12(20)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyBHGMEVCNIMMXSC-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.69
Rot. Bonds5

About N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide (PubChem CID 62838644) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
PubChem CID62838644
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-3-18-8(2)6-12(20)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyBHGMEVCNIMMXSC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
3-[2-chloro-4-(trifluoromethyl)anilino]butanoic acid
CID 55234535
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
2-carbamothioyl-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 63669300

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide (CID 62838644) is N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide?
The InChIKey is BHGMEVCNIMMXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-3-18-8(2)6-12(20)19-11-5-4-9(7-10(11)14)13(15,16)17/h4-5,7-8,18H,3,6H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide has a molecular weight of 308.73 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62838644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).