N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide

C17H23Cl2NO2 — CID 162179022

IUPACN-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Cc1cc(Cl)c(NC(=O)CC(C)C)cc1Cl
InChIInChI=1S/C17H23Cl2NO2/c1-10(2)5-13(21)7-12-8-15(19)16(9-14(12)18)20-17(22)6-11(3)4/h8-11H,5-7H2,1-4H3,(H,20,22)
InChIKeyNZRJLZNJFVIMFH-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.14
Rot. Bonds7

About N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide

N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide (PubChem CID 162179022) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide
PubChem CID162179022
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC NameN-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Cc1cc(Cl)c(NC(=O)CC(C)C)cc1Cl
InChIInChI=1S/C17H23Cl2NO2/c1-10(2)5-13(21)7-12-8-15(19)16(9-14(12)18)20-17(22)6-11(3)4/h8-11H,5-7H2,1-4H3,(H,20,22)
InChIKeyNZRJLZNJFVIMFH-UHFFFAOYSA-N
XLogP5.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 113244525
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-3-methylbutanamide
CID 62914499
1-(2,4-dichlorophenyl)-3-(3-methylbutanoylamino)thiourea
CID 47102452
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666016
(2S,3S)-3-methyl-2-[(2,4,5-trichlorophenyl)carbamoylamino]pentanoic acid
CID 61181915

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide (CID 162179022) is N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Cc1cc(Cl)c(NC(=O)CC(C)C)cc1Cl.
What is the InChIKey of N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide?
The InChIKey is NZRJLZNJFVIMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-10(2)5-13(21)7-12-8-15(19)16(9-14(12)18)20-17(22)6-11(3)4/h8-11H,5-7H2,1-4H3,(H,20,22).
What are the key properties of N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide?
N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide has a molecular weight of 344.28 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dichloro-4-(4-methyl-2-oxopentyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 162179022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).