3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C19H20F3N3O2 — CID 40817603

IUPAC3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-13(14-6-5-7-15(12-14)19(20,21)22)24-17(26)10-11-23-18(27)25-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H2,23,25,27)/t13-/m1/s1
InChIKeyXAUZKXCEFGTJGW-CYBMUJFWSA-N
MW379.38 g/mol
LogP4.09
Rot. Bonds6

About 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 40817603) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID40817603
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-13(14-6-5-7-15(12-14)19(20,21)22)24-17(26)10-11-23-18(27)25-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H2,23,25,27)/t13-/m1/s1
InChIKeyXAUZKXCEFGTJGW-CYBMUJFWSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
CID 16557098
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
(2R)-2-chloro-N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]ethyl]propanamide
CID 95150741
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763964
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 40817603) is 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is XAUZKXCEFGTJGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-13(14-6-5-7-15(12-14)19(20,21)22)24-17(26)10-11-23-18(27)25-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H2,23,25,27)/t13-/m1/s1.
What are the key properties of 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 379.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 40817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).