N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide

C19H22FN3O3 — CID 131933648

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1
InChIInChI=1S/C19H22FN3O3/c1-12-8-9-13(10-15(12)22-17(24)11-23(2)3)21-19(25)18-14(20)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXOMNGSPVQMUVFC-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.90
Rot. Bonds6

About N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide (PubChem CID 131933648) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide
PubChem CID131933648
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1
InChIInChI=1S/C19H22FN3O3/c1-12-8-9-13(10-15(12)22-17(24)11-23(2)3)21-19(25)18-14(20)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyXOMNGSPVQMUVFC-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide (CID 131933648) is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is XOMNGSPVQMUVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-8-9-13(10-15(12)22-17(24)11-23(2)3)21-19(25)18-14(20)6-5-7-16(18)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide?
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 359.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 131933648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).