3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide

C13H17Cl2NO — CID 110480800

IUPAC3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-13(2,9-16-12(17)7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyXBZIEQQAURDYPM-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.36
Rot. Bonds5

About 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide

3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide (PubChem CID 110480800) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
PubChem CID110480800
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-13(2,9-16-12(17)7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyXBZIEQQAURDYPM-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
2-(2-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090396
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide (CID 110480800) is 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide is CC(C)(CNC(=O)CCCl)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide?
The InChIKey is XBZIEQQAURDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2,9-16-12(17)7-8-14)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide?
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide has a molecular weight of 274.19 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide is sourced from PubChem (CID 110480800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).