4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

C16H15F3N4O2 — CID 167934472

IUPAC4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-5-6-21-13(7-12)9-22-14(24)11-3-1-10(2-4-11)8-23-15(20)25/h1-7H,8-9H2,(H,22,24)(H3,20,23,25)
InChIKeyMGDWBVFHFGJMPC-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.20
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (PubChem CID 167934472) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
PubChem CID167934472
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-5-6-21-13(7-12)9-22-14(24)11-3-1-10(2-4-11)8-23-15(20)25/h1-7H,8-9H2,(H,22,24)(H3,20,23,25)
InChIKeyMGDWBVFHFGJMPC-UHFFFAOYSA-N
XLogP2.20
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 158710662
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
4-pyrimidin-5-yl-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]benzamide
CID 89468197
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (CID 167934472) is 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is NC(=O)NCc1ccc(C(=O)NCc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The InChIKey is MGDWBVFHFGJMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)12-5-6-21-13(7-12)9-22-14(24)11-3-1-10(2-4-11)8-23-15(20)25/h1-7H,8-9H2,(H,22,24)(H3,20,23,25).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide has a molecular weight of 352.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 167934472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).