N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide

C17H16Cl2N2O2 — CID 1370195

IUPACN-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-3-16(22)20-12-5-7-13(8-6-12)21-17(23)14-10-11(18)4-9-15(14)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyBXXKVPBNRBXRFH-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.98
Rot. Bonds5

About N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide

N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide (PubChem CID 1370195) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
PubChem CID1370195
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-3-16(22)20-12-5-7-13(8-6-12)21-17(23)14-10-11(18)4-9-15(14)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyBXXKVPBNRBXRFH-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide (CID 1370195) is N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide is CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide?
The InChIKey is BXXKVPBNRBXRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-3-16(22)20-12-5-7-13(8-6-12)21-17(23)14-10-11(18)4-9-15(14)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide?
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide has a molecular weight of 351.23 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 1370195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).