N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide

C21H19FN4O2 — CID 87010607

IUPACN-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
SMILESCN(Cc1ccncc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H19FN4O2/c1-26(14-15-8-10-23-11-9-15)21(28)25-18-6-2-4-16(12-18)20(27)24-19-7-3-5-17(22)13-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMLCAPBVGCLOMAY-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.14
Rot. Bonds5

About N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide

N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide (PubChem CID 87010607) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
PubChem CID87010607
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
SMILESCN(Cc1ccncc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H19FN4O2/c1-26(14-15-8-10-23-11-9-15)21(28)25-18-6-2-4-16(12-18)20(27)24-19-7-3-5-17(22)13-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyMLCAPBVGCLOMAY-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109086315
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide (CID 87010607) is N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide is CN(Cc1ccncc1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide?
The InChIKey is MLCAPBVGCLOMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-26(14-15-8-10-23-11-9-15)21(28)25-18-6-2-4-16(12-18)20(27)24-19-7-3-5-17(22)13-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide?
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide has a molecular weight of 378.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 87010607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).