N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide

C14H18ClF3N2O — CID 43243123

IUPACN-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-4-8(2)19-13(21)9(3)20-10-5-6-12(15)11(7-10)14(16,17)18/h5-9,20H,4H2,1-3H3,(H,19,21)
InChIKeyDYOBHDHVHVYWFD-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.07
Rot. Bonds5

About N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide

N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide (PubChem CID 43243123) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
PubChem CID43243123
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O/c1-4-8(2)19-13(21)9(3)20-10-5-6-12(15)11(7-10)14(16,17)18/h5-9,20H,4H2,1-3H3,(H,19,21)
InChIKeyDYOBHDHVHVYWFD-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide (CID 43243123) is N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide is CCC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is DYOBHDHVHVYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-4-8(2)19-13(21)9(3)20-10-5-6-12(15)11(7-10)14(16,17)18/h5-9,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide?
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 322.76 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43243123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).