4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide

C21H20N2O2 — CID 151516900

IUPAC4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
SMILESCc1cc(C(N)c2ccccc2)ccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H20N2O2/c1-14-13-17(20(22)15-5-3-2-4-6-15)9-12-19(14)25-18-10-7-16(8-11-18)21(23)24/h2-13,20H,22H2,1H3,(H2,23,24)
InChIKeyPTQNXAWVDRNKCN-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.93
Rot. Bonds5

About 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide

4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide (PubChem CID 151516900) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
PubChem CID151516900
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide
SMILESCc1cc(C(N)c2ccccc2)ccc1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H20N2O2/c1-14-13-17(20(22)15-5-3-2-4-6-15)9-12-19(14)25-18-10-7-16(8-11-18)21(23)24/h2-13,20H,22H2,1H3,(H2,23,24)
InChIKeyPTQNXAWVDRNKCN-UHFFFAOYSA-N
XLogP3.93
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
4-(4-carbamoylphenoxy)benzamide
CID 156597124
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
4-(4-iodo-2-methylphenoxy)benzoic acid
CID 165024392
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
CID 70620359

Frequently Asked Questions

What is the IUPAC name of 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide?
The IUPAC name of 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide (CID 151516900) is 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide.
What is the SMILES notation for 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide?
The canonical SMILES for 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide is Cc1cc(C(N)c2ccccc2)ccc1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide?
The InChIKey is PTQNXAWVDRNKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-13-17(20(22)15-5-3-2-4-6-15)9-12-19(14)25-18-10-7-16(8-11-18)21(23)24/h2-13,20H,22H2,1H3,(H2,23,24).
What are the key properties of 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide?
4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[amino(phenyl)methyl]-2-methylphenoxy]benzamide is sourced from PubChem (CID 151516900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).