N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide

C17H18FN3O4 — CID 56801848

IUPACN-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cccc(CNC(=O)Nc2ccc(F)c(NC(C)=O)c2)c1O
InChIInChI=1S/C17H18FN3O4/c1-10(22)20-14-8-12(6-7-13(14)18)21-17(24)19-9-11-4-3-5-15(25-2)16(11)23/h3-8,23H,9H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyNEPFPMKGEVFMSA-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.82
Rot. Bonds5

About N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide

N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 56801848) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID56801848
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cccc(CNC(=O)Nc2ccc(F)c(NC(C)=O)c2)c1O
InChIInChI=1S/C17H18FN3O4/c1-10(22)20-14-8-12(6-7-13(14)18)21-17(24)19-9-11-4-3-5-15(25-2)16(11)23/h3-8,23H,9H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyNEPFPMKGEVFMSA-UHFFFAOYSA-N
XLogP2.82
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide
CID 167959226
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267
N-[2-fluoro-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 74249456
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide (CID 56801848) is N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide is COc1cccc(CNC(=O)Nc2ccc(F)c(NC(C)=O)c2)c1O.
What is the InChIKey of N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is NEPFPMKGEVFMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10(22)20-14-8-12(6-7-13(14)18)21-17(24)19-9-11-4-3-5-15(25-2)16(11)23/h3-8,23H,9H2,1-2H3,(H,20,22)(H2,19,21,24).
What are the key properties of N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide?
N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 56801848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).