N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide

C21H26FN3O3 — CID 86843918

IUPACN-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C21H26FN3O3/c1-5-7-20(26)23-17-8-6-9-18(14(17)2)24-21(27)25(3)13-15-10-11-19(28-4)16(22)12-15/h6,8-12H,5,7,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyGVPQUQVPYHLQQS-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.55
Rot. Bonds7

About N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide

N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide (PubChem CID 86843918) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
PubChem CID86843918
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C21H26FN3O3/c1-5-7-20(26)23-17-8-6-9-18(14(17)2)24-21(27)25(3)13-15-10-11-19(28-4)16(22)12-15/h6,8-12H,5,7,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyGVPQUQVPYHLQQS-UHFFFAOYSA-N
XLogP4.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 33191747
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CID 9044326
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
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3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 18144096
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The IUPAC name of N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide (CID 86843918) is N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide.
What is the SMILES notation for N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The canonical SMILES for N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(F)c2)c1C.
What is the InChIKey of N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
The InChIKey is GVPQUQVPYHLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-5-7-20(26)23-17-8-6-9-18(14(17)2)24-21(27)25(3)13-15-10-11-19(28-4)16(22)12-15/h6,8-12H,5,7,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide?
N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide has a molecular weight of 387.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]butanamide is sourced from PubChem (CID 86843918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).