5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C14H18ClF3N2O — CID 62180458

IUPAC5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H18ClF3N2O/c1-4-19-12-6-5-10(15)7-11(12)13(21)20(9(2)3)8-14(16,17)18/h5-7,9,19H,4,8H2,1-3H3
InChIKeyPKHYCVBJCJMHSC-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62180458) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62180458
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H18ClF3N2O/c1-4-19-12-6-5-10(15)7-11(12)13(21)20(9(2)3)8-14(16,17)18/h5-7,9,19H,4,8H2,1-3H3
InChIKeyPKHYCVBJCJMHSC-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180211
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
CID 63500077
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
5-chloro-6-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180282
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
CID 62241178

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 62180458) is 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CCNc1ccc(Cl)cc1C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PKHYCVBJCJMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-4-19-12-6-5-10(15)7-11(12)13(21)20(9(2)3)8-14(16,17)18/h5-7,9,19H,4,8H2,1-3H3.
What are the key properties of 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 322.76 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62180458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).