N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide

C23H22FN3O2 — CID 22291047

IUPACN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C23H22FN3O2/c1-15-11-12-17(25-22(28)16-7-6-8-18(13-16)27(2)3)14-21(15)26-23(29)19-9-4-5-10-20(19)24/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyZVDATFBYFAUQQI-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.70
Rot. Bonds5

About N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide (PubChem CID 22291047) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
PubChem CID22291047
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C23H22FN3O2/c1-15-11-12-17(25-22(28)16-7-6-8-18(13-16)27(2)3)14-21(15)26-23(29)19-9-4-5-10-20(19)24/h4-14H,1-3H3,(H,25,28)(H,26,29)
InChIKeyZVDATFBYFAUQQI-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
CID 22291123
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
CID 150182067
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide (CID 22291047) is N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is ZVDATFBYFAUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-11-12-17(25-22(28)16-7-6-8-18(13-16)27(2)3)14-21(15)26-23(29)19-9-4-5-10-20(19)24/h4-14H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide?
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 22291047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).