N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide

C21H19FN2O3 — CID 112986757

IUPACN-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-17-11-14(12-18(13-17)27-2)21(25)24-16-9-7-15(8-10-16)23-20-6-4-3-5-19(20)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyUEGRZVUFMPDTEE-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.84
Rot. Bonds6

About N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide

N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide (PubChem CID 112986757) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
PubChem CID112986757
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-17-11-14(12-18(13-17)27-2)21(25)24-16-9-7-15(8-10-16)23-20-6-4-3-5-19(20)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyUEGRZVUFMPDTEE-UHFFFAOYSA-N
XLogP4.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide (CID 112986757) is N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccccc3F)cc2)c1.
What is the InChIKey of N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is UEGRZVUFMPDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-17-11-14(12-18(13-17)27-2)21(25)24-16-9-7-15(8-10-16)23-20-6-4-3-5-19(20)22/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 366.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112986757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).