N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide

C17H16Cl2N2O2 — CID 3389767

IUPACN-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-13-5-3-4-11(8-13)17(23)21-15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBUXJJOUWMJDDAK-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.84
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide

N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 3389767) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID3389767
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-13-5-3-4-11(8-13)17(23)21-15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyBUXJJOUWMJDDAK-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
3-chloro-N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23097832
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803895
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide (CID 3389767) is N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is BUXJJOUWMJDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-13-5-3-4-11(8-13)17(23)21-15-9-12(18)6-7-14(15)19/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide?
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 3389767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).