3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide

C18H18Cl2N2O2 — CID 55532232

IUPAC3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)17(24)22-13-6-4-5-12(10-13)21-16(23)11-7-8-14(19)15(20)9-11/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXLNSEWHCOGSBMA-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.23
Rot. Bonds3

About 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide

3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide (PubChem CID 55532232) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
PubChem CID55532232
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)17(24)22-13-6-4-5-12(10-13)21-16(23)11-7-8-14(19)15(20)9-11/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXLNSEWHCOGSBMA-UHFFFAOYSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methylbenzamide
CID 17204543
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
CID 138984141
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide (CID 55532232) is 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The InChIKey is XLNSEWHCOGSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)17(24)22-13-6-4-5-12(10-13)21-16(23)11-7-8-14(19)15(20)9-11/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55532232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).