N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide

C18H18F3N3O2 — CID 51944566

IUPACN-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c1-11(13-4-3-5-16(10-13)23-12(2)25)22-17(26)24-15-8-6-14(7-9-15)18(19,20)21/h3-11H,1-2H3,(H,23,25)(H2,22,24,26)/t11-/m1/s1
InChIKeyZLAVIJBAWIHGGF-LLVKDONJSA-N
MW365.36 g/mol
LogP4.55
Rot. Bonds4

About N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide (PubChem CID 51944566) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
PubChem CID51944566
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O2/c1-11(13-4-3-5-16(10-13)23-12(2)25)22-17(26)24-15-8-6-14(7-9-15)18(19,20)21/h3-11H,1-2H3,(H,23,25)(H2,22,24,26)/t11-/m1/s1
InChIKeyZLAVIJBAWIHGGF-LLVKDONJSA-N
XLogP4.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
CID 55834926
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 55696566
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55585994
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 27519093
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide (CID 51944566) is N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is ZLAVIJBAWIHGGF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(13-4-3-5-16(10-13)23-12(2)25)22-17(26)24-15-8-6-14(7-9-15)18(19,20)21/h3-11H,1-2H3,(H,23,25)(H2,22,24,26)/t11-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 365.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 51944566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).