(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide

C16H21ClF3N3O2 — CID 8682562

IUPAC(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)CN(CC)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H21ClF3N3O2/c1-4-21-14(24)9-23(5-2)10(3)15(25)22-13-8-11(16(18,19)20)6-7-12(13)17/h6-8,10H,4-5,9H2,1-3H3,(H,21,24)(H,22,25)/t10-/m1/s1
InChIKeyCVEVHQAPERAQNS-SNVBAGLBSA-N
MW379.81 g/mol
LogP3.14
Rot. Bonds7

About (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide (PubChem CID 8682562) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
PubChem CID8682562
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)CN(CC)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H21ClF3N3O2/c1-4-21-14(24)9-23(5-2)10(3)15(25)22-13-8-11(16(18,19)20)6-7-12(13)17/h6-8,10H,4-5,9H2,1-3H3,(H,21,24)(H,22,25)/t10-/m1/s1
InChIKeyCVEVHQAPERAQNS-SNVBAGLBSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798504
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2235348
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide (CID 8682562) is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide is CCNC(=O)CN(CC)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CVEVHQAPERAQNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21ClF3N3O2/c1-4-21-14(24)9-23(5-2)10(3)15(25)22-13-8-11(16(18,19)20)6-7-12(13)17/h6-8,10H,4-5,9H2,1-3H3,(H,21,24)(H,22,25)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide?
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 379.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 8682562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).