(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide

C15H19ClF3N3O2 — CID 95150741

IUPAC(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19ClF3N3O2/c1-9(16)13(23)20-6-7-21-14(24)22-10(2)11-4-3-5-12(8-11)15(17,18)19/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H2,21,22,24)/t9-,10-/m1/s1
InChIKeySOVWOOFLXAHZIV-NXEZZACHSA-N
MW365.78 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide

(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide (PubChem CID 95150741) has the molecular formula C15H19ClF3N3O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide
PubChem CID95150741
Molecular FormulaC15H19ClF3N3O2
Molecular Weight365.78 g/mol
Exact Mass365.11
IUPAC Name(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide
SMILESC[C@@H](Cl)C(=O)NCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19ClF3N3O2/c1-9(16)13(23)20-6-7-21-14(24)22-10(2)11-4-3-5-12(8-11)15(17,18)19/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H2,21,22,24)/t9-,10-/m1/s1
InChIKeySOVWOOFLXAHZIV-NXEZZACHSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
2-methyl-N-[2-[[N'-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111324103
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
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2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
1-[(2-methylpyrimidin-4-yl)methyl]-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 94651117
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86938995
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide (CID 95150741) is (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide is C[C@@H](Cl)C(=O)NCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide?
The InChIKey is SOVWOOFLXAHZIV-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19ClF3N3O2/c1-9(16)13(23)20-6-7-21-14(24)22-10(2)11-4-3-5-12(8-11)15(17,18)19/h3-5,8-10H,6-7H2,1-2H3,(H,20,23)(H2,21,22,24)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide?
(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide has a molecular weight of 365.78 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide is sourced from PubChem (CID 95150741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).