N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide

C15H14ClFN2O2 — CID 61014183

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
SMILESCOc1ccc(N)cc1CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-5-3-11(18)6-9(14)8-19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOPOBTMMDKDEMNU-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.00
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide

N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide (PubChem CID 61014183) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
PubChem CID61014183
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
SMILESCOc1ccc(N)cc1CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-5-3-11(18)6-9(14)8-19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOPOBTMMDKDEMNU-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
ethyl 3-[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoate
CID 22494185
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 54903114
2-[[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]methyl]oxolane-2-carboxylic acid
CID 59712357
2,4-dichloro-N-[[5-(2-fluoro-5-formylphenyl)-2-methoxyphenyl]methyl]benzamide
CID 89092609
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide (CID 61014183) is N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide is COc1ccc(N)cc1CNC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide?
The InChIKey is OPOBTMMDKDEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-14-5-3-11(18)6-9(14)8-19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide?
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 61014183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).