3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide

C13H16Cl2N2O2 — CID 3509027

IUPAC3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCCl)c(NC(=O)CCCl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9-2-3-10(16-12(18)4-6-14)11(8-9)17-13(19)5-7-15/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZXFAUNSQCGHFBF-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.13
Rot. Bonds6

About 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide

3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide (PubChem CID 3509027) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
PubChem CID3509027
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCCl)c(NC(=O)CCCl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9-2-3-10(16-12(18)4-6-14)11(8-9)17-13(19)5-7-15/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyZXFAUNSQCGHFBF-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
CID 4120076
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide (CID 3509027) is 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCCl)c(NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide?
The InChIKey is ZXFAUNSQCGHFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9-2-3-10(16-12(18)4-6-14)11(8-9)17-13(19)5-7-15/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide?
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide has a molecular weight of 303.19 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide is sourced from PubChem (CID 3509027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).