2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide

C18H18Cl2N2O2 — CID 43055354

IUPAC2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-10(2)16(11-3-5-12(19)6-4-11)18(24)22-13-7-8-15(20)14(9-13)17(21)23/h3-10,16H,1-2H3,(H2,21,23)(H,22,24)
InChIKeyWISLNPGOZQEHLQ-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.47
Rot. Bonds5

About 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide

2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide (PubChem CID 43055354) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
PubChem CID43055354
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-10(2)16(11-3-5-12(19)6-4-11)18(24)22-13-7-8-15(20)14(9-13)17(21)23/h3-10,16H,1-2H3,(H2,21,23)(H,22,24)
InChIKeyWISLNPGOZQEHLQ-UHFFFAOYSA-N
XLogP4.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 9071413
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide (CID 43055354) is 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide is CC(C)C(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide?
The InChIKey is WISLNPGOZQEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-10(2)16(11-3-5-12(19)6-4-11)18(24)22-13-7-8-15(20)14(9-13)17(21)23/h3-10,16H,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide?
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide has a molecular weight of 365.26 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide is sourced from PubChem (CID 43055354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).