3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H16F3N3O2 — CID 26312131

IUPAC3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-6-4-11(5-7-13)8-9-22-15(24)12-2-1-3-14(10-12)23-16(21)25/h1-7,10H,8-9H2,(H,22,24)(H3,21,23,25)
InChIKeyWYEICUNGAXJNRD-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.17
Rot. Bonds5

About 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 26312131) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID26312131
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-6-4-11(5-7-13)8-9-22-15(24)12-2-1-3-14(10-12)23-16(21)25/h1-7,10H,8-9H2,(H,22,24)(H3,21,23,25)
InChIKeyWYEICUNGAXJNRD-UHFFFAOYSA-N
XLogP3.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26065719
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
4-[2-[[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]ethyl]benzoic acid
CID 174539218
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 26312131) is 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is NC(=O)Nc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is WYEICUNGAXJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)13-6-4-11(5-7-13)8-9-22-15(24)12-2-1-3-14(10-12)23-16(21)25/h1-7,10H,8-9H2,(H,22,24)(H3,21,23,25).
What are the key properties of 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 351.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26312131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).