4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide

C26H29FN4O3 — CID 55769855

IUPAC4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCOc1ccc(C(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)N(C)C)cc1
InChIInChI=1S/C26H29FN4O3/c1-31(2)24(18-10-14-22(34-3)15-11-18)17-29-26(33)30-21-12-8-19(9-13-21)25(32)28-16-20-6-4-5-7-23(20)27/h4-15,24H,16-17H2,1-3H3,(H,28,32)(H2,29,30,33)
InChIKeyDZAVSFFHUUPRJQ-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.19
Rot. Bonds9

About 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide

4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 55769855) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID55769855
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCOc1ccc(C(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)N(C)C)cc1
InChIInChI=1S/C26H29FN4O3/c1-31(2)24(18-10-14-22(34-3)15-11-18)17-29-26(33)30-21-12-8-19(9-13-21)25(32)28-16-20-6-4-5-7-23(20)27/h4-15,24H,16-17H2,1-3H3,(H,28,32)(H2,29,30,33)
InChIKeyDZAVSFFHUUPRJQ-UHFFFAOYSA-N
XLogP4.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
CID 55697090
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide (CID 55769855) is 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide is COc1ccc(C(CNC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)N(C)C)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is DZAVSFFHUUPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-31(2)24(18-10-14-22(34-3)15-11-18)17-29-26(33)30-21-12-8-19(9-13-21)25(32)28-16-20-6-4-5-7-23(20)27/h4-15,24H,16-17H2,1-3H3,(H,28,32)(H2,29,30,33).
What are the key properties of 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide?
4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]carbamoylamino]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 55769855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).