5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide

C18H18Cl2N2O3 — CID 86880347

IUPAC5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-10(7-12-3-4-13(19)8-16(12)20)21-18(25)15-9-14(22-11(2)23)5-6-17(15)24/h3-6,8-10,24H,7H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyBLMMVXTWFAHVLT-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.02
Rot. Bonds5

About 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide

5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide (PubChem CID 86880347) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide
PubChem CID86880347
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-10(7-12-3-4-13(19)8-16(12)20)21-18(25)15-9-14(22-11(2)23)5-6-17(15)24/h3-6,8-10,24H,7H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyBLMMVXTWFAHVLT-UHFFFAOYSA-N
XLogP4.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate
CID 22305555
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
5-chloro-N-[(2S,3S)-4-(3,4-difluoroanilino)-3-methyl-4-oxobutan-2-yl]-2-hydroxybenzamide
CID 166667403

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide (CID 86880347) is 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide is CC(=O)Nc1ccc(O)c(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide?
The InChIKey is BLMMVXTWFAHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10(7-12-3-4-13(19)8-16(12)20)21-18(25)15-9-14(22-11(2)23)5-6-17(15)24/h3-6,8-10,24H,7H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide?
5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide has a molecular weight of 381.26 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 86880347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).