N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C18H19Cl2NO2 — CID 100714297

IUPACN-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C18H19Cl2NO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-15(19)16(20)8-12/h5-10H,1-4H3,(H,21,22)
InChIKeyWXSNVWIQDRKYPV-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.69
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100714297) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100714297
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C18H19Cl2NO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-15(19)16(20)8-12/h5-10H,1-4H3,(H,21,22)
InChIKeyWXSNVWIQDRKYPV-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715391
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100714297) is N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is WXSNVWIQDRKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-15(19)16(20)8-12/h5-10H,1-4H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 352.26 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100714297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).