3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide

C17H17Cl2NO2 — CID 18276879

IUPAC3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(C(C)C)c2)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10(2)11-5-4-6-13(7-11)20-17(21)12-8-14(18)16(22-3)15(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyCXXVTMYXCGNGEV-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.38
Rot. Bonds4

About 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide

3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 18276879) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID18276879
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(C(C)C)c2)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-10(2)11-5-4-6-13(7-11)20-17(21)12-8-14(18)16(22-3)15(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyCXXVTMYXCGNGEV-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide (CID 18276879) is 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide is COc1c(Cl)cc(C(=O)Nc2cccc(C(C)C)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is CXXVTMYXCGNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10(2)11-5-4-6-13(7-11)20-17(21)12-8-14(18)16(22-3)15(19)9-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 338.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 18276879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).