N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide

C13H17Cl2NO — CID 110478525

IUPACN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)12(17)16-13(3,4)9-5-10(14)7-11(15)6-9/h5-8H,1-4H3,(H,16,17)
InChIKeyZJFYISZYYGTDNP-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.00
Rot. Bonds3

About N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide

N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 110478525) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
PubChem CID110478525
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)12(17)16-13(3,4)9-5-10(14)7-11(15)6-9/h5-8H,1-4H3,(H,16,17)
InChIKeyZJFYISZYYGTDNP-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
CID 110477784
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
CID 129087089
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-prop-2-enoxyurea
CID 54114932
(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide
CID 97250859
4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one
CID 139705210
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
N-[2-(3-chlorophenyl)propan-2-yl]-2-hydroxy-3-(2-methoxyanilino)butanamide
CID 134349936
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide (CID 110478525) is N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is ZJFYISZYYGTDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)12(17)16-13(3,4)9-5-10(14)7-11(15)6-9/h5-8H,1-4H3,(H,16,17).
What are the key properties of N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide?
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 274.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 110478525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).