N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide

C26H27FN4O3 — CID 46348983

IUPACN-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-18-5-8-22(9-6-18)29-26(33)30-23-16-20(7-10-24(23)31-11-13-34-14-12-31)25(32)28-17-19-3-2-4-21(27)15-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyUENWPSQEQJCCPG-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.54
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide

N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide (PubChem CID 46348983) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
PubChem CID46348983
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-18-5-8-22(9-6-18)29-26(33)30-23-16-20(7-10-24(23)31-11-13-34-14-12-31)25(32)28-17-19-3-2-4-21(27)15-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyUENWPSQEQJCCPG-UHFFFAOYSA-N
XLogP4.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-methylphenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348878
N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
CID 46348858
3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 141480905
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-[(4-methylphenyl)methyl]-3-(2-phenylethylcarbamoylamino)-4-pyrrolidin-1-ylbenzamide
CID 20964867
4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 67373018
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1H-pyridine-3-carboxamide
CID 67287131

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide (CID 46348983) is N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide?
The InChIKey is UENWPSQEQJCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-18-5-8-22(9-6-18)29-26(33)30-23-16-20(7-10-24(23)31-11-13-34-14-12-31)25(32)28-17-19-3-2-4-21(27)15-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide?
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 46348983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).