3,5-dichloroaniline;2-methyl-4-phenoxybenzamide

C20H18Cl2N2O2 — CID 174930679

IUPAC3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
SMILESCc1cc(Oc2ccccc2)ccc1C(N)=O.Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13NO2.C6H5Cl2N/c1-10-9-12(7-8-13(10)14(15)16)17-11-5-3-2-4-6-11;7-4-1-5(8)3-6(9)2-4/h2-9H,1H3,(H2,15,16);1-3H,9H2
InChIKeyLEARORULLJWVAM-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.46
Rot. Bonds3

About 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide

3,5-dichloroaniline;2-methyl-4-phenoxybenzamide (PubChem CID 174930679) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide.

Molecular Properties

Compound Name3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
PubChem CID174930679
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
SMILESCc1cc(Oc2ccccc2)ccc1C(N)=O.Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13NO2.C6H5Cl2N/c1-10-9-12(7-8-13(10)14(15)16)17-11-5-3-2-4-6-11;7-4-1-5(8)3-6(9)2-4/h2-9H,1H3,(H2,15,16);1-3H,9H2
InChIKeyLEARORULLJWVAM-UHFFFAOYSA-N
XLogP5.46
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.46
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

2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
2-amino-5-(3,5-dichlorophenoxy)benzamide
CID 55148858
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
2-methyl-4-[4-(methylaminomethyl)phenoxy]benzamide
CID 106486919
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706
2-[(3-chloropyrazin-2-yl)methyl]-5-phenoxybenzamide
CID 173127851
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide?
The IUPAC name of 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide (CID 174930679) is 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide.
What is the SMILES notation for 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide?
The canonical SMILES for 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide is Cc1cc(Oc2ccccc2)ccc1C(N)=O.Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide?
The InChIKey is LEARORULLJWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.C6H5Cl2N/c1-10-9-12(7-8-13(10)14(15)16)17-11-5-3-2-4-6-11;7-4-1-5(8)3-6(9)2-4/h2-9H,1H3,(H2,15,16);1-3H,9H2.
What are the key properties of 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide?
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide has a molecular weight of 389.28 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloroaniline;2-methyl-4-phenoxybenzamide is sourced from PubChem (CID 174930679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).